#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncd s ILE 2 N 0.00 5.02 -0.01 1.69 1.01 -1.26 -3.69 121.20 123.95 1ncd s ILE 2 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.72 1ncd s ILE 2 Cb 0.00 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1ncd s ILE 2 CO 0.00 0.44 -0.07 -1.10 0.00 0.00 0.00 174.94 174.22 1ncd s GLN 3 N 0.43 0.64 -0.14 2.79 -1.52 -0.73 -4.94 119.66 116.20 1ncd s GLN 3 Ca 0.05 -0.22 -0.03 0.00 -1.95 0.00 0.00 55.36 53.21 1ncd s GLN 3 Cb -0.12 -0.63 0.05 0.00 -0.22 0.00 0.00 33.01 32.09 1ncd s GLN 3 CO -0.00 0.10 0.05 -0.51 -0.25 0.00 0.00 175.29 174.67 1ncd s LEU 4 N 0.09 0.62 -0.03 2.90 1.43 -1.26 0.37 118.68 122.80 1ncd s LEU 4 Ca -0.01 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1ncd s LEU 4 Cb -0.06 -0.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 1ncd s LEU 4 CO -0.00 -0.29 0.12 -0.69 0.23 0.00 0.00 176.35 175.72 1ncd s VAL 5 N 2.02 5.10 0.45 -1.59 1.01 -1.13 -3.31 120.40 122.94 1ncd s VAL 5 Ca 0.02 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1ncd s VAL 5 Cb -0.15 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1ncd s VAL 5 CO -0.07 0.41 0.03 -1.10 0.00 0.00 0.00 175.10 174.37 1ncd s GLN 6 N -1.61 2.08 1.01 2.72 -0.21 -1.26 -1.13 119.66 121.26 1ncd s GLN 6 Ca 0.22 -2.20 -0.12 0.00 0.02 0.00 0.00 55.36 53.28 1ncd s GLN 6 Cb -0.12 -1.63 0.20 0.00 1.00 0.00 0.00 33.01 32.45 1ncd s GLN 6 CO 0.13 -0.19 1.09 -1.54 -2.12 0.00 0.00 175.29 172.66 1ncd s SER 7 N -3.80 2.47 0.61 5.90 1.04 -0.66 -4.97 113.70 114.28 1ncd s SER 7 Ca 0.24 1.23 -0.15 0.00 0.48 0.00 0.00 55.95 57.75 1ncd s SER 7 Cb 0.06 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 1ncd s SER 7 CO 0.13 -3.23 1.07 -0.83 0.98 0.00 0.00 173.24 171.35 1ncd s GLY 8 N -3.37 2.11 0.49 7.32 0.00 -1.26 -4.73 107.32 107.88 1ncd s GLY 8 Ca 0.66 0.41 -0.22 0.00 0.00 0.00 0.00 44.72 45.56 1ncd s GLY 8 CO 0.58 0.73 1.16 2.56 0.00 0.00 0.00 173.10 178.13 1ncd s PRO 9 N -4.12 3.60 0.08 2.90 0.04 -1.26 -4.87 135.00 131.36 1ncd s PRO 9 Ca 0.64 1.73 0.09 0.00 0.04 0.00 0.00 61.00 63.50 1ncd s PRO 9 Cb -0.17 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1ncd s PRO 9 CO 0.39 -0.67 -0.24 -1.21 0.04 0.00 0.00 177.00 175.30 1ncd s GLU 10 N -2.91 1.48 -0.25 4.56 2.02 -0.44 -4.96 118.70 118.20 1ncd s GLU 10 Ca 0.67 -1.14 -0.08 0.00 0.02 0.00 0.00 54.97 54.44 1ncd s GLU 10 Cb -0.27 -1.75 -0.03 0.00 0.10 0.00 0.00 34.13 32.18 1ncd s GLU 10 CO 0.32 0.43 0.08 -1.17 0.02 0.00 0.00 175.26 174.95 1ncd s LEU 11 N -1.56 3.52 -0.00 1.80 2.96 -1.26 -2.97 118.68 121.17 1ncd s LEU 11 Ca 0.10 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1ncd s LEU 11 Cb -0.10 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 1ncd s LEU 11 CO 0.03 -0.03 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.44 1ncd s LYS 12 N 1.59 0.42 0.28 1.98 -0.14 -1.04 -5.03 119.74 117.80 1ncd s LYS 12 Ca 0.06 -0.22 -0.15 0.00 -1.36 0.00 0.00 55.97 54.31 1ncd s LYS 12 Cb -0.15 -0.39 -0.08 0.00 -1.68 0.00 0.00 37.83 35.52 1ncd s LYS 12 CO 0.04 0.11 0.69 0.21 -0.76 0.00 0.00 175.35 175.64 1ncd s LYS 13 N -0.21 4.01 -0.26 1.68 2.20 -1.22 -1.40 119.74 124.54 1ncd s LYS 13 Ca 0.01 0.62 -0.39 0.00 -0.36 0.00 0.00 55.97 55.85 1ncd s LYS 13 Cb -0.02 -2.57 -0.15 0.00 -1.51 0.00 0.00 37.83 33.58 1ncd s LYS 13 CO -0.00 0.24 1.78 -2.30 -0.36 0.00 0.00 175.35 174.71 1ncd n PRO 14 N -0.09 1.29 0.00 4.03 -0.02 -1.26 -2.88 135.00 136.07 1ncd n PRO 14 Ca 0.02 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1ncd n PRO 14 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1ncd n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ncd n GLY 15 N 4.33 1.37 2.89 -1.23 0.00 0.11 -4.86 105.19 107.80 1ncd n GLY 15 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 1ncd n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ncd n GLU 16 N 0.00 -2.26 -4.58 1.61 1.02 -1.14 -3.29 120.64 112.00 1ncd n GLU 16 Ca 0.00 -1.47 -0.28 0.00 -0.02 0.00 0.00 57.16 55.39 1ncd n GLU 16 Cb 0.00 -1.25 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 1ncd n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ncd s THR 17 N -2.80 2.01 -0.08 2.62 2.01 -1.26 -0.81 115.64 117.34 1ncd s THR 17 Ca 0.58 -1.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 1ncd s THR 17 Cb -0.04 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.74 1ncd s THR 17 CO 0.43 0.17 0.19 0.54 -0.69 0.00 0.00 174.62 175.27 1ncd s VAL 18 N -0.95 -0.06 -0.28 3.82 0.11 0.60 -4.96 120.40 118.68 1ncd s VAL 18 Ca 0.11 0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 59.31 1ncd s VAL 18 Cb -0.10 -0.31 0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1ncd s VAL 18 CO 0.04 0.07 -0.01 -0.75 -3.33 0.00 0.00 175.10 171.12 1ncd s LYS 19 N 1.26 2.64 -0.15 1.54 2.20 -1.26 -0.63 119.74 125.34 1ncd s LYS 19 Ca -0.09 -1.13 -0.16 0.00 -0.36 0.00 0.00 55.97 54.23 1ncd s LYS 19 Cb -0.11 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1ncd s LYS 19 CO -0.07 -0.53 0.39 0.42 -0.36 0.00 0.00 175.35 175.19 1ncd s ILE 20 N 1.31 5.24 -0.08 5.43 1.01 0.11 -4.95 121.20 129.27 1ncd s ILE 20 Ca -0.03 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.32 1ncd s ILE 20 Cb -0.18 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1ncd s ILE 20 CO -0.02 0.35 0.14 -0.44 0.00 0.00 0.00 174.94 174.97 1ncd s SER 21 N 0.60 6.26 -0.33 3.58 0.01 -1.26 -0.37 113.70 122.18 1ncd s SER 21 Ca 0.21 0.39 -0.01 0.00 1.31 0.00 0.00 55.95 57.86 1ncd s SER 21 Cb -0.14 -1.98 0.11 0.00 0.21 0.00 0.00 66.02 64.22 1ncd s SER 21 CO 0.07 0.36 0.13 0.00 0.41 0.00 0.00 173.24 174.21 1ncd s LYS 23 N 1.42 3.52 0.05 0.00 1.02 -0.28 -1.75 119.74 123.72 1ncd s LYS 23 Ca 0.12 -0.16 -0.16 0.00 0.02 0.00 0.00 55.97 55.79 1ncd s LYS 23 Cb -0.19 -3.86 -0.06 0.00 -0.52 0.00 0.00 37.83 33.20 1ncd s LYS 23 CO -0.20 -0.80 0.48 0.00 -0.92 0.00 0.00 175.35 173.91 1ncd s ALA 24 N 2.64 3.65 0.17 5.17 0.00 -1.04 -2.85 121.76 129.49 1ncd s ALA 24 Ca 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 1ncd s ALA 24 Cb -0.15 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1ncd s ALA 24 CO 0.16 0.46 0.11 0.45 0.00 0.00 0.00 175.76 176.94 1ncd s SER 25 N -1.25 0.21 0.00 0.00 0.15 0.16 -4.86 113.70 108.12 1ncd s SER 25 Ca 0.28 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1ncd s SER 25 Cb -0.17 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1ncd s SER 25 CO 0.16 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1ncd n GLY 26 N -0.19 1.99 0.00 9.45 0.00 -1.24 -1.78 105.19 113.41 1ncd n GLY 26 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ncd n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ncd n TYR 27 N 0.00 -0.91 -3.67 1.61 4.11 -1.26 -4.72 117.16 112.31 1ncd n TYR 27 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.51 1ncd n TYR 27 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.22 1ncd n TYR 27 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1ncd s THR 28 N -0.06 4.30 0.25 -3.48 2.01 -1.26 -4.99 115.64 112.42 1ncd s THR 28 Ca 0.00 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 1ncd s THR 28 Cb 0.00 -3.34 0.27 0.00 0.01 0.00 0.00 72.50 69.44 1ncd s THR 28 CO 0.00 -0.11 1.66 0.15 -0.69 0.00 0.00 174.62 175.63 1ncd h PHE 29 N 8.34 0.16 -0.02 4.92 3.57 -1.95 -1.74 116.94 130.22 1ncd h PHE 29 Ca -0.27 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.28 1ncd h PHE 29 Cb 1.11 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 1ncd h PHE 29 CO 0.60 -0.18 0.14 1.15 -2.23 0.00 0.00 178.31 177.79 1ncd h THR 30 N 0.19 0.06 -0.02 4.41 2.02 -1.94 -2.90 112.91 114.72 1ncd h THR 30 Ca 0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.63 1ncd h THR 30 Cb 0.81 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1ncd h THR 30 CO -0.61 0.00 -0.31 -3.20 0.37 0.00 0.00 175.52 171.77 1ncd n ASN 31 N -3.10 2.11 -3.49 4.18 2.85 -0.65 -4.21 115.26 112.94 1ncd n ASN 31 Ca -0.02 -1.55 -0.18 0.00 -0.11 0.00 0.00 54.58 52.72 1ncd n ASN 31 Cb 0.20 0.35 -0.13 0.00 1.24 0.00 0.00 39.78 41.45 1ncd n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1ncd s TYR 32 N -2.12 -0.31 1.03 1.20 2.02 -1.10 -4.98 117.35 113.10 1ncd s TYR 32 Ca 0.19 0.28 -0.13 0.00 -0.37 0.00 0.00 57.07 57.03 1ncd s TYR 32 Cb 0.16 -0.33 0.20 0.00 -0.40 0.00 0.00 41.96 41.60 1ncd s TYR 32 CO 0.44 -0.60 1.10 0.20 -1.57 0.00 0.00 175.55 175.12 1ncd s GLY 33 N 2.34 1.56 -0.07 0.71 0.00 -1.26 -4.62 107.32 105.98 1ncd s GLY 33 Ca 0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 44.72 44.30 1ncd s GLY 33 CO -0.12 0.20 0.10 1.06 0.00 0.00 0.00 173.10 174.35 1ncd s MET 34 N -5.01 3.27 -0.03 2.90 -1.94 -0.88 -0.94 119.30 116.67 1ncd s MET 34 Ca 0.66 -0.29 0.01 0.00 -1.71 0.00 0.00 55.69 54.36 1ncd s MET 34 Cb -0.18 -3.03 -0.03 0.00 2.01 0.00 0.00 34.83 33.60 1ncd s MET 34 CO 0.57 0.72 -0.02 -0.80 -0.01 0.00 0.00 175.02 175.49 1ncd s ASN 35 N -1.27 5.02 -0.18 3.03 -0.87 0.10 -1.38 114.94 119.39 1ncd s ASN 35 Ca 0.18 0.01 -0.03 0.00 -1.57 0.00 0.00 52.86 51.45 1ncd s ASN 35 Cb -0.12 -1.31 -0.01 0.00 -0.02 0.00 0.00 41.25 39.79 1ncd s ASN 35 CO 0.08 0.31 -0.07 0.26 -2.57 0.00 0.00 177.10 175.11 1ncd s TRP 36 N -0.99 2.92 0.19 2.20 0.52 -0.53 -0.89 118.94 122.37 1ncd s TRP 36 Ca 0.17 -0.77 0.10 0.00 0.02 0.00 0.00 56.10 55.62 1ncd s TRP 36 Cb -0.11 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 1ncd s TRP 36 CO 0.07 -0.38 -0.16 0.08 0.02 0.00 0.00 176.95 176.58 1ncd s VAL 37 N 0.99 2.82 -0.19 4.03 1.01 0.08 -0.09 120.40 129.05 1ncd s VAL 37 Ca -0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.10 1ncd s VAL 37 Cb -0.15 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1ncd s VAL 37 CO -0.00 -0.13 -0.05 -0.75 0.00 0.00 0.00 175.10 174.17 1ncd s LYS 38 N -2.81 3.47 -0.34 2.72 2.20 -0.51 -0.58 119.74 123.89 1ncd s LYS 38 Ca 0.24 -0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 55.23 1ncd s LYS 38 Cb -0.08 -2.94 0.07 0.00 -1.51 0.00 0.00 37.83 33.37 1ncd s LYS 38 CO 0.13 -0.02 0.07 -1.14 -0.36 0.00 0.00 175.35 174.03 1ncd s GLN 39 N 1.02 2.18 0.79 4.03 2.00 -0.70 -2.26 119.66 126.72 1ncd s GLN 39 Ca 0.00 -1.51 -0.11 0.00 -2.00 0.00 0.00 55.36 51.74 1ncd s GLN 39 Cb -0.15 -3.30 0.07 0.00 0.80 0.00 0.00 33.01 30.43 1ncd s GLN 39 CO 0.00 -0.80 1.10 0.00 -0.50 0.00 0.00 175.29 175.09 1ncd s ALA 40 N 1.17 2.28 -0.01 1.58 0.00 -1.24 -0.63 121.76 124.91 1ncd s ALA 40 Ca 0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 1ncd s ALA 40 Cb -0.21 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1ncd s ALA 40 CO -0.03 -1.70 0.66 -1.35 0.00 0.00 0.00 175.76 173.34 1ncd h PRO 41 N -1.07 -0.29 -3.40 0.00 0.11 -1.94 -3.37 132.00 122.04 1ncd h PRO 41 Ca -0.47 0.02 -0.76 0.00 0.11 0.00 0.00 66.00 64.90 1ncd h PRO 41 Cb 1.27 0.07 -0.16 0.00 0.11 0.00 0.00 31.00 32.28 1ncd h PRO 41 CO 0.59 -0.19 1.96 0.41 -0.21 0.00 0.00 178.00 180.56 1ncd n GLY 42 N 0.21 4.83 0.00 -0.55 0.00 -1.26 -4.27 105.19 104.16 1ncd n GLY 42 Ca -0.04 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1ncd n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ncd n LYS 43 N 3.55 0.00 0.00 1.61 3.00 -1.26 -5.18 118.16 119.88 1ncd n LYS 43 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 1ncd n LYS 43 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.38 1ncd n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ncd n GLY 44 N -0.13 -1.86 3.80 3.14 0.00 -1.26 -4.96 105.19 103.92 1ncd n GLY 44 Ca 0.00 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 1ncd n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ncd s LEU 45 N 0.00 4.51 -0.17 0.99 1.43 -1.26 -3.72 118.68 120.46 1ncd s LEU 45 Ca 0.00 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1ncd s LEU 45 Cb 0.00 -2.89 0.03 0.00 0.03 0.00 0.00 46.19 43.36 1ncd s LEU 45 CO 0.00 0.25 -0.10 -0.70 0.23 0.00 0.00 176.35 176.02 1ncd s GLU 46 N -0.95 1.96 -0.05 1.70 2.56 -0.96 -4.99 118.70 117.98 1ncd s GLU 46 Ca 0.29 -0.62 -0.30 0.00 0.00 0.00 0.00 54.97 54.34 1ncd s GLU 46 Cb -0.19 -2.14 -0.05 0.00 2.00 0.00 0.00 34.13 33.75 1ncd s GLU 46 CO 0.18 -0.34 1.48 -0.46 -0.56 0.00 0.00 175.26 175.57 1ncd s TRP 47 N 1.51 2.50 -0.01 5.30 -0.00 -1.26 -1.42 118.94 125.55 1ncd s TRP 47 Ca 0.02 0.59 -0.01 0.00 -0.00 0.00 0.00 56.10 56.70 1ncd s TRP 47 Cb -0.14 -3.75 -0.27 0.00 -0.00 0.00 0.00 33.47 29.31 1ncd s TRP 47 CO -0.09 -2.92 0.82 0.52 -0.00 0.00 0.00 176.95 175.28 1ncd h MET 48 N 8.56 0.21 0.00 5.86 2.86 -0.84 -3.44 114.93 128.14 1ncd h MET 48 Ca -0.36 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 56.91 1ncd h MET 48 Cb 1.17 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1ncd h MET 48 CO 0.94 1.05 0.00 0.41 1.06 0.00 0.00 176.91 180.37 1ncd n GLY 49 N 1.67 -1.40 3.00 8.32 0.00 -1.21 -0.72 105.19 114.84 1ncd n GLY 49 Ca -0.17 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 1ncd n GLY 49 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ncd s TRP 50 N -2.99 0.05 -0.13 1.61 -0.00 -0.75 -1.45 118.94 115.29 1ncd s TRP 50 Ca 0.00 -0.11 0.03 0.00 -0.00 0.00 0.00 56.10 56.02 1ncd s TRP 50 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 33.47 33.42 1ncd s TRP 50 CO 0.00 -0.15 -0.22 -1.50 -0.00 0.00 0.00 176.95 175.08 1ncd s ILE 51 N -0.79 2.15 -0.54 5.86 2.07 -0.48 -1.00 121.20 128.47 1ncd s ILE 51 Ca -0.09 -0.96 -0.27 0.00 -1.41 0.00 0.00 60.65 57.93 1ncd s ILE 51 Cb -0.05 -1.85 -0.03 0.00 0.13 0.00 0.00 42.46 40.65 1ncd s ILE 51 CO 0.00 0.55 1.97 0.21 -1.91 0.00 0.00 174.94 175.76 1ncd s ASN 52 N 0.66 5.18 0.00 4.50 3.84 -1.01 -2.08 114.94 126.03 1ncd s ASN 52 Ca -0.11 0.65 0.15 0.00 0.21 0.00 0.00 52.86 53.77 1ncd s ASN 52 Cb -0.16 -2.52 0.84 0.00 -0.55 0.00 0.00 41.25 38.85 1ncd s ASN 52 CO 0.02 -2.38 1.34 0.35 -2.79 0.00 0.00 177.10 173.63 1ncd n THR 52 N 7.41 0.21 -0.12 -5.21 -2.24 -1.26 0.23 114.28 113.30 1ncd n THR 52 Ca 0.24 0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.84 1ncd n THR 52 Cb 0.52 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.84 1ncd n THR 52 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ncd n ASN 53 N -1.10 1.91 0.08 3.42 2.85 -1.26 -4.49 115.26 116.67 1ncd n ASN 53 Ca 0.10 0.39 0.11 0.00 -0.11 0.00 0.00 54.58 55.07 1ncd n ASN 53 Cb 0.07 -0.86 -0.01 0.00 1.24 0.00 0.00 39.78 40.22 1ncd n ASN 53 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1ncd n THR 54 N -4.36 0.48 -0.62 -0.44 -2.24 -1.14 -5.00 114.28 100.96 1ncd n THR 54 Ca -0.40 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1ncd n THR 54 Cb 0.74 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1ncd n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ncd n GLY 55 N 1.22 1.32 3.82 3.38 0.00 0.13 -5.04 105.19 110.02 1ncd n GLY 55 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1ncd n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ncd s GLU 56 N -0.17 3.70 0.07 1.61 4.04 -1.24 -4.65 118.70 122.07 1ncd s GLU 56 Ca 0.00 -0.17 0.01 0.00 0.04 0.00 0.00 54.97 54.86 1ncd s GLU 56 Cb 0.00 -3.27 -0.04 0.00 0.02 0.00 0.00 34.13 30.84 1ncd s GLU 56 CO 0.00 0.61 0.17 -1.25 -1.84 0.00 0.00 175.26 172.94 1ncd s PRO 57 N -0.53 3.25 -0.20 -4.83 0.04 -1.26 -2.39 135.00 129.08 1ncd s PRO 57 Ca 0.12 -0.53 -0.01 0.00 0.04 0.00 0.00 61.00 60.62 1ncd s PRO 57 Cb -0.12 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.50 1ncd s PRO 57 CO 0.02 0.59 -0.13 0.99 0.04 0.00 0.00 177.00 178.51 1ncd s THR 58 N -1.48 2.66 0.14 1.26 2.01 -0.17 -5.00 115.64 115.06 1ncd s THR 58 Ca 0.33 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 1ncd s THR 58 Cb -0.13 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 1ncd s THR 58 CO 0.26 0.48 0.35 -0.31 -0.69 0.00 0.00 174.62 174.70 1ncd s TYR 59 N 1.37 3.48 0.94 4.92 2.02 -1.26 -1.81 117.35 127.02 1ncd s TYR 59 Ca 0.05 0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 57.08 1ncd s TYR 59 Cb -0.14 -1.92 0.15 0.00 -0.40 0.00 0.00 41.96 39.65 1ncd s TYR 59 CO -0.08 0.45 1.10 0.20 -1.57 0.00 0.00 175.55 175.65 1ncd s GLY 60 N -2.60 1.58 0.08 0.71 0.00 0.10 -4.91 107.32 102.27 1ncd s GLY 60 Ca 0.39 -0.31 -0.19 0.00 0.00 0.00 0.00 44.72 44.61 1ncd s GLY 60 CO 0.26 0.24 1.48 -2.09 0.00 0.00 0.00 173.10 172.99 1ncd h GLU 61 N -1.66 0.44 0.00 2.90 4.57 -1.94 -2.86 114.58 116.03 1ncd h GLU 61 Ca -0.52 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.50 1ncd h GLU 61 Cb 1.31 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1ncd h GLU 61 CO 0.58 0.66 0.00 -1.91 -1.18 0.00 0.00 179.01 177.16 1ncd n GLU 62 N -4.59 0.11 0.00 1.92 0.00 -1.26 -3.53 120.64 113.29 1ncd n GLU 62 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.12 1ncd n GLU 62 Cb 0.28 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.49 1ncd n GLU 62 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1ncd n PHE 63 N -0.74 0.00 -2.44 4.31 3.72 -1.09 -5.05 117.46 116.17 1ncd n PHE 63 Ca 0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.98 1ncd n PHE 63 Cb 0.01 0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 1ncd n PHE 63 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1ncd s LYS 64 N 0.00 3.75 0.00 -1.08 2.20 -1.15 -3.38 119.74 120.07 1ncd s LYS 64 Ca 0.00 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 1ncd s LYS 64 Cb 0.00 -3.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 1ncd s LYS 64 CO 0.00 -1.34 0.00 0.41 -0.36 0.00 0.00 175.35 174.06 1ncd n GLY 65 N 4.71 2.76 0.00 5.54 0.00 -1.26 -4.88 105.19 112.06 1ncd n GLY 65 Ca 0.15 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1ncd n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ncd n ARG 66 N 0.00 0.68 -4.05 1.61 1.74 -1.25 -5.00 116.66 110.39 1ncd n ARG 66 Ca 0.00 -0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.70 1ncd n ARG 66 Cb 0.00 -1.06 -0.07 0.00 -1.02 0.00 0.00 32.46 30.31 1ncd n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ncd s PHE 67 N -2.21 3.38 -0.18 -1.55 0.40 -1.22 -4.08 117.98 112.52 1ncd s PHE 67 Ca -0.01 0.29 -0.05 0.00 -0.60 0.00 0.00 56.93 56.56 1ncd s PHE 67 Cb 0.03 -1.80 0.09 0.00 0.51 0.00 0.00 43.02 41.85 1ncd s PHE 67 CO 0.18 0.60 0.33 0.00 0.70 0.00 0.00 175.22 177.02 1ncd s ALA 68 N -1.16 -0.81 0.14 5.36 0.00 -0.59 -4.80 121.76 119.90 1ncd s ALA 68 Ca 0.21 1.05 -0.06 0.00 0.00 0.00 0.00 51.96 53.17 1ncd s ALA 68 Cb -0.12 -1.25 -0.06 0.00 0.00 0.00 0.00 23.12 21.69 1ncd s ALA 68 CO 0.12 -0.83 0.39 -0.06 0.00 0.00 0.00 175.76 175.38 1ncd s PHE 69 N 2.49 3.49 0.26 0.00 0.08 -1.26 -0.93 117.98 122.11 1ncd s PHE 69 Ca 0.03 0.61 -0.13 0.00 0.12 0.00 0.00 56.93 57.55 1ncd s PHE 69 Cb -0.13 -2.04 0.05 0.00 -0.57 0.00 0.00 43.02 40.33 1ncd s PHE 69 CO -0.11 0.44 0.69 -1.13 -0.10 0.00 0.00 175.22 175.00 1ncd n SER 70 N 0.20 -1.69 -3.51 1.36 3.41 -0.83 -4.97 113.62 107.60 1ncd n SER 70 Ca -0.03 -2.09 -0.14 0.00 -0.26 0.00 0.00 58.87 56.34 1ncd n SER 70 Cb 0.52 2.80 -0.04 0.00 -0.26 0.00 0.00 64.21 67.22 1ncd n SER 70 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1ncd s LEU 71 N 0.00 -0.55 -0.80 1.04 0.05 -1.26 -1.51 118.68 115.65 1ncd s LEU 71 Ca 0.14 0.40 -0.01 0.00 0.05 0.00 0.00 54.13 54.72 1ncd s LEU 71 Cb -0.03 2.36 0.20 0.00 -2.05 0.00 0.00 46.19 46.67 1ncd s LEU 71 CO 0.08 -0.65 0.66 -1.61 -0.55 0.00 0.00 176.35 174.28 1ncd s GLU 72 N -2.01 2.98 0.43 1.48 2.02 0.15 -4.94 118.70 118.81 1ncd s GLU 72 Ca -0.04 -3.14 0.22 0.00 0.02 0.00 0.00 54.97 52.03 1ncd s GLU 72 Cb -0.00 -3.81 1.20 0.00 0.10 0.00 0.00 34.13 31.62 1ncd s GLU 72 CO 0.01 -1.25 1.78 1.79 0.02 0.00 0.00 175.26 177.61 1ncd h THR 73 N 4.38 0.49 -0.27 3.63 1.35 -1.92 0.81 112.91 121.39 1ncd h THR 73 Ca 0.12 -0.10 0.08 0.00 -0.55 0.00 0.00 66.41 65.95 1ncd h THR 73 Cb 0.83 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.40 1ncd h THR 73 CO 0.80 0.06 0.32 0.28 -0.25 0.00 0.00 175.52 176.72 1ncd h SER 74 N 0.30 0.00 0.00 5.36 0.02 -1.93 0.17 113.55 117.47 1ncd h SER 74 Ca 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1ncd h SER 74 Cb 1.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.21 1ncd h SER 74 CO -0.24 0.00 -0.01 0.00 -1.14 0.00 0.00 176.83 175.44 1ncd n ALA 75 N -2.29 1.94 -2.15 3.77 0.00 0.19 -4.99 120.51 116.98 1ncd n ALA 75 Ca 0.04 -1.21 -0.11 0.00 0.00 0.00 0.00 53.44 52.16 1ncd n ALA 75 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 1ncd n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ncd n SER 76 N -0.59 -3.48 -4.78 0.00 7.64 0.58 -4.58 113.62 108.41 1ncd n SER 76 Ca 0.03 0.24 -0.37 0.00 1.01 0.00 0.00 58.87 59.77 1ncd n SER 76 Cb 0.35 -3.05 -0.06 0.00 -1.01 0.00 0.00 64.21 60.43 1ncd n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ncd s THR 77 N -2.40 5.21 -0.06 0.44 2.01 -0.65 -2.50 115.64 117.68 1ncd s THR 77 Ca 0.00 0.68 -0.00 0.00 0.31 0.00 0.00 61.69 62.67 1ncd s THR 77 Cb 0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1ncd s THR 77 CO 0.00 0.47 -0.02 0.00 -0.69 0.00 0.00 174.62 174.38 1ncd s ALA 78 N -0.24 3.18 0.00 7.40 0.00 -0.72 0.34 121.76 131.72 1ncd s ALA 78 Ca 0.20 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.34 1ncd s ALA 78 Cb -0.15 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 1ncd s ALA 78 CO 0.08 0.59 -0.13 -0.80 0.00 0.00 0.00 175.76 175.51 1ncd s ASN 79 N -0.98 1.49 -0.06 0.00 -0.87 -0.57 -0.39 114.94 113.56 1ncd s ASN 79 Ca 0.14 -0.29 0.06 0.00 -1.57 0.00 0.00 52.86 51.20 1ncd s ASN 79 Cb -0.11 -0.14 -0.01 0.00 -0.02 0.00 0.00 41.25 40.97 1ncd s ASN 79 CO 0.03 0.12 -0.24 -0.22 -2.57 0.00 0.00 177.10 174.22 1ncd s LEU 80 N -0.52 2.06 -0.03 0.60 2.96 0.50 -1.97 118.68 122.29 1ncd s LEU 80 Ca 0.04 -0.51 0.08 0.00 -0.22 0.00 0.00 54.13 53.51 1ncd s LEU 80 Cb -0.06 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 1ncd s LEU 80 CO -0.00 0.22 -0.26 -1.58 -1.32 0.00 0.00 176.35 173.41 1ncd s GLN 81 N -0.05 2.18 0.38 1.98 0.74 -0.10 0.04 119.66 124.82 1ncd s GLN 81 Ca -0.07 -0.92 0.06 0.00 0.05 0.00 0.00 55.36 54.48 1ncd s GLN 81 Cb -0.14 -2.06 -0.07 0.00 1.10 0.00 0.00 33.01 31.83 1ncd s GLN 81 CO 0.05 0.53 0.02 0.42 -0.55 0.00 0.00 175.29 175.76 1ncd s ILE 82 N -0.54 1.75 0.00 -2.34 1.01 0.20 -1.54 121.20 119.73 1ncd s ILE 82 Ca 0.08 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.72 1ncd s ILE 82 Cb -0.11 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1ncd s ILE 82 CO -0.00 -0.01 0.00 -3.20 0.00 0.00 0.00 174.94 171.73 1ncd n ASN 82 N -0.87 0.00 -4.61 3.58 5.15 -0.89 -0.29 115.26 117.32 1ncd n ASN 82 Ca -0.04 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.51 1ncd n ASN 82 Cb 0.67 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.89 1ncd n ASN 82 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ncd s LEU 82 N -0.17 3.70 0.09 1.20 1.43 0.01 -4.64 118.68 120.30 1ncd s LEU 82 Ca 0.00 1.44 -0.27 0.00 -1.03 0.00 0.00 54.13 54.28 1ncd s LEU 82 Cb 0.00 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.63 1ncd s LEU 82 CO 0.00 -1.47 0.84 -0.54 0.23 0.00 0.00 176.35 175.41 1ncd s LYS 83 N 5.14 4.59 0.56 1.70 1.02 -1.26 0.04 119.74 131.52 1ncd s LYS 83 Ca 0.75 1.22 0.29 0.00 0.02 0.00 0.00 55.97 58.26 1ncd s LYS 83 Cb -0.23 -3.35 1.47 0.00 -0.52 0.00 0.00 37.83 35.19 1ncd s LYS 83 CO 0.32 0.30 1.91 -2.95 -0.92 0.00 0.00 175.35 174.00 1ncd h ASN 84 N 5.45 0.00 0.00 2.83 -1.07 -1.92 0.03 115.58 120.90 1ncd h ASN 84 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.93 1ncd h ASN 84 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1ncd h ASN 84 CO 0.71 0.00 0.00 -1.84 0.07 0.00 0.00 177.43 176.37 1ncd n GLU 85 N -3.98 0.19 -0.64 4.14 0.28 -1.26 -1.63 120.64 117.75 1ncd n GLU 85 Ca 0.12 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.18 1ncd n GLU 85 Cb 0.76 -1.19 0.31 0.00 1.43 0.00 0.00 31.44 32.75 1ncd n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ncd n ASP 86 N -0.69 4.47 -4.55 -1.84 8.00 -0.00 -4.90 116.55 117.03 1ncd n ASP 86 Ca 0.02 -2.59 -0.39 0.00 0.71 0.00 0.00 54.79 52.54 1ncd n ASP 86 Cb 0.01 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 1ncd n ASP 86 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ncd s LYS 87 N -2.16 2.62 0.00 -1.24 1.02 -0.64 -4.78 119.74 114.56 1ncd s LYS 87 Ca 0.43 0.73 0.00 0.00 0.02 0.00 0.00 55.97 57.14 1ncd s LYS 87 Cb 0.31 -4.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.22 1ncd s LYS 87 CO 0.16 -2.73 0.00 0.00 -0.92 0.00 0.00 175.35 171.86 1ncd n ALA 88 N 12.88 0.00 -3.85 5.17 0.00 -0.81 -4.38 120.51 129.53 1ncd n ALA 88 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 1ncd n ALA 88 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1ncd n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ncd s THR 89 N -2.72 1.14 -0.03 0.00 2.01 0.20 -0.62 115.64 115.61 1ncd s THR 89 Ca 0.00 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 60.79 1ncd s THR 89 Cb 0.00 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 1ncd s THR 89 CO 0.00 -0.19 0.56 -0.36 -0.69 0.00 0.00 174.62 173.94 1ncd s PHE 90 N 1.57 3.65 0.01 4.92 0.08 -0.29 -1.73 117.98 126.18 1ncd s PHE 90 Ca -0.03 1.12 0.02 0.00 0.12 0.00 0.00 56.93 58.16 1ncd s PHE 90 Cb -0.18 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.65 1ncd s PHE 90 CO -0.08 0.33 -0.01 -0.06 -0.10 0.00 0.00 175.22 175.30 1ncd s PHE 91 N -0.05 3.04 -0.02 0.36 0.08 0.26 -1.59 117.98 120.06 1ncd s PHE 91 Ca 0.30 0.06 -0.02 0.00 0.12 0.00 0.00 56.93 57.39 1ncd s PHE 91 Cb -0.17 -1.65 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 1ncd s PHE 91 CO 0.15 0.45 0.11 0.00 -0.10 0.00 0.00 175.22 175.84 1ncd s ALA 93 N -1.20 -0.82 0.03 0.00 0.00 -0.07 0.41 121.76 120.11 1ncd s ALA 93 Ca 0.23 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 1ncd s ALA 93 Cb -0.12 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1ncd s ALA 93 CO 0.14 -0.19 1.22 0.50 0.00 0.00 0.00 175.76 177.42 1ncd s ARG 94 N -0.33 4.40 -0.72 0.00 3.52 -0.42 0.03 118.95 125.43 1ncd s ARG 94 Ca -0.05 1.77 -0.26 0.00 -0.13 0.00 0.00 55.73 57.06 1ncd s ARG 94 Cb -0.03 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1ncd s ARG 94 CO 0.02 -0.33 1.62 0.20 -0.81 0.00 0.00 175.30 175.99 1ncd s GLY 95 N 1.23 0.54 0.30 8.12 0.00 -0.11 -2.99 107.32 114.41 1ncd s GLY 95 Ca 0.59 -1.13 0.06 0.00 0.00 0.00 0.00 44.72 44.23 1ncd s GLY 95 CO 0.27 3.08 1.71 -2.09 0.00 0.00 0.00 173.10 176.08 1ncd h GLU 96 N 12.35 0.48 -5.46 2.90 4.22 -1.62 -3.35 114.58 124.11 1ncd h GLU 96 Ca -0.20 -0.03 -0.65 0.00 0.08 0.00 0.00 59.36 58.56 1ncd h GLU 96 Cb 1.09 -0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.11 1ncd h GLU 96 CO 1.26 0.32 -0.54 0.16 -2.18 0.00 0.00 179.01 178.02 1ncd s ASP 97 N -5.20 4.06 0.22 1.04 -4.77 -1.26 -5.00 116.67 105.75 1ncd s ASP 97 Ca -0.11 -1.48 -0.32 0.00 -3.30 0.00 0.00 52.55 47.34 1ncd s ASP 97 Cb 0.26 0.07 -0.12 0.00 -1.09 0.00 0.00 42.92 42.03 1ncd s ASP 97 CO 0.79 -0.67 1.69 -3.20 0.70 0.00 0.00 175.17 174.48 1ncd n ASN 98 N -1.15 3.90 0.00 2.11 5.15 -1.26 -2.43 115.26 121.58 1ncd n ASN 98 Ca -0.11 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.94 1ncd n ASN 98 Cb 0.67 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.35 1ncd n ASN 98 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ncd n PHE 99 N 3.61 0.00 -2.33 1.20 3.01 -1.26 -4.48 117.46 117.21 1ncd n PHE 99 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1ncd n PHE 99 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1ncd n PHE 99 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ncd n GLY 100 N -2.00 0.96 0.00 1.37 0.00 -1.02 -4.83 105.19 99.67 1ncd n GLY 100 Ca 0.00 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.49 1ncd n GLY 100 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ncd n SER 100 N 1.38 0.00 -3.58 1.61 3.41 -1.26 -4.51 113.62 110.67 1ncd n SER 100 Ca 0.00 -0.29 -0.10 0.00 -0.26 0.00 0.00 58.87 58.22 1ncd n SER 100 Cb 0.47 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 1ncd n SER 100 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ncd s LEU 100 N -2.31 -0.58 -0.50 1.04 1.02 -1.26 -5.07 118.68 111.03 1ncd s LEU 100 Ca 0.24 0.72 -0.15 0.00 0.02 0.00 0.00 54.13 54.96 1ncd s LEU 100 Cb 0.14 1.17 0.10 0.00 0.02 0.00 0.00 46.19 47.62 1ncd s LEU 100 CO 0.27 -0.25 0.42 -0.44 0.02 0.00 0.00 176.35 176.38 1ncd s SER 100 N 2.56 6.08 0.10 2.29 0.01 -1.26 -1.66 113.70 121.81 1ncd s SER 100 Ca 0.03 -1.60 -0.11 0.00 1.31 0.00 0.00 55.95 55.57 1ncd s SER 100 Cb -0.13 -2.16 -0.06 0.00 0.21 0.00 0.00 66.02 63.88 1ncd s SER 100 CO -0.13 -0.74 0.43 1.51 0.41 0.00 0.00 173.24 174.73 1ncd s ASP 101 N 3.01 6.68 -0.17 2.44 -4.77 -1.16 -4.85 116.67 117.84 1ncd s ASP 101 Ca 0.04 0.85 -0.10 0.00 -3.30 0.00 0.00 52.55 50.03 1ncd s ASP 101 Cb -0.27 -2.20 0.04 0.00 -1.09 0.00 0.00 42.92 39.40 1ncd s ASP 101 CO 0.04 0.15 0.20 -1.22 0.70 0.00 0.00 175.17 175.04 1ncd n TYR 102 N 0.86 -3.84 -4.09 2.11 4.01 -1.26 -3.62 117.16 111.33 1ncd n TYR 102 Ca -0.07 2.20 -0.23 0.00 -0.16 0.00 0.00 57.90 59.63 1ncd n TYR 102 Cb 0.52 -3.51 -0.04 0.00 -0.31 0.00 0.00 39.34 35.99 1ncd n TYR 102 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1ncd s TRP 103 N -0.64 3.16 0.47 -0.72 0.52 -1.26 -1.30 118.94 119.16 1ncd s TRP 103 Ca -0.23 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 55.82 1ncd s TRP 103 Cb 0.02 -1.45 0.00 0.00 -1.15 0.00 0.00 33.47 30.89 1ncd s TRP 103 CO 0.68 0.51 0.68 0.20 0.02 0.00 0.00 176.95 179.05 1ncd s GLY 104 N -3.63 1.62 0.54 0.98 0.00 0.17 -4.68 107.32 102.31 1ncd s GLY 104 Ca 0.32 -1.12 0.23 0.00 0.00 0.00 0.00 44.72 44.16 1ncd s GLY 104 CO 0.25 -0.93 1.68 0.06 0.00 0.00 0.00 173.10 174.16 1ncd h GLN 105 N 0.35 0.00 0.00 2.90 3.07 -1.85 -3.42 115.11 116.17 1ncd h GLN 105 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1ncd h GLN 105 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 1ncd h GLN 105 CO 0.56 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.89 1ncd n GLY 106 N -1.25 0.07 3.10 0.06 0.00 -1.26 -5.03 105.19 100.88 1ncd n GLY 106 Ca -0.02 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 1ncd n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ncd s THR 107 N -0.81 1.63 -0.06 2.61 2.01 -0.62 -4.87 115.64 115.54 1ncd s THR 107 Ca 0.00 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 1ncd s THR 107 Cb 0.00 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 1ncd s THR 107 CO 0.00 0.47 0.34 -0.89 -0.69 0.00 0.00 174.62 173.85 1ncd s THR 108 N 0.75 5.18 -0.07 -0.82 2.01 -1.26 -1.14 115.64 120.29 1ncd s THR 108 Ca -0.11 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.56 1ncd s THR 108 Cb -0.16 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1ncd s THR 108 CO 0.02 0.54 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.23 1ncd s LEU 109 N -0.73 1.07 -0.22 4.42 2.96 0.21 -1.32 118.68 125.06 1ncd s LEU 109 Ca 0.21 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1ncd s LEU 109 Cb -0.15 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 46.02 1ncd s LEU 109 CO 0.10 -0.11 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.99 1ncd s THR 110 N 1.42 2.30 -0.50 3.68 2.01 -1.16 -1.92 115.64 121.48 1ncd s THR 110 Ca -0.03 -1.18 -0.13 0.00 0.31 0.00 0.00 61.69 60.66 1ncd s THR 110 Cb -0.13 -2.14 0.12 0.00 0.01 0.00 0.00 72.50 70.35 1ncd s THR 110 CO -0.03 0.27 0.42 -0.69 -0.69 0.00 0.00 174.62 173.91 1ncd s VAL 111 N 1.24 4.85 0.02 3.82 1.01 -1.25 -2.51 120.40 127.58 1ncd s VAL 111 Ca -0.01 -1.52 -0.02 0.00 0.00 0.00 0.00 61.98 60.43 1ncd s VAL 111 Cb -0.16 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1ncd s VAL 111 CO -0.08 -0.78 0.02 -0.55 0.00 0.00 0.00 175.10 173.71 1ncd s SER 112 N 3.09 0.19 0.08 3.32 0.15 -0.49 -4.69 113.70 115.35 1ncd s SER 112 Ca 0.04 -0.45 0.25 0.00 0.70 0.00 0.00 55.95 56.50 1ncd s SER 112 Cb -0.28 0.14 0.60 0.00 -1.71 0.00 0.00 66.02 64.77 1ncd s SER 112 CO 0.02 -0.34 1.51 -1.54 1.20 0.00 0.00 173.24 174.09 1ncd n SER 113 N 1.46 0.55 -4.74 5.45 3.41 -1.26 -3.43 113.62 115.06 1ncd n SER 113 Ca -0.23 0.15 -0.38 0.00 -0.26 0.00 0.00 58.87 58.15 1ncd n SER 113 Cb 0.56 -0.06 0.06 0.00 -0.26 0.00 0.00 64.21 64.50 1ncd n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ncd s ALA 114 N -3.08 2.57 0.33 7.33 0.00 -1.26 -4.98 121.76 122.67 1ncd s ALA 114 Ca 0.09 1.26 -0.24 0.00 0.00 0.00 0.00 51.96 53.08 1ncd s ALA 114 Cb 0.15 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 1ncd s ALA 114 CO 0.67 -1.49 0.91 0.15 0.00 0.00 0.00 175.76 175.99 1ncd s LYS 115 N -3.18 4.44 0.05 0.00 1.02 -1.26 -5.01 119.74 115.80 1ncd s LYS 115 Ca 0.78 1.19 -0.31 0.00 0.02 0.00 0.00 55.97 57.66 1ncd s LYS 115 Cb -0.39 -2.66 -0.07 0.00 -0.52 0.00 0.00 37.83 34.20 1ncd s LYS 115 CO 0.43 0.22 1.41 0.99 -0.92 0.00 0.00 175.35 177.48 1ncd s THR 116 N -1.74 3.54 -0.05 2.17 2.01 -1.26 -4.57 115.64 115.75 1ncd s THR 116 Ca 0.52 1.01 0.03 0.00 0.31 0.00 0.00 61.69 63.56 1ncd s THR 116 Cb -0.16 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1ncd s THR 116 CO 0.21 0.03 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.15 1ncd s THR 117 N 1.92 1.12 0.74 -0.82 2.01 0.22 -4.88 115.64 115.93 1ncd s THR 117 Ca 0.65 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 62.03 1ncd s THR 117 Cb -0.34 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.21 1ncd s THR 117 CO 0.28 0.34 1.08 0.00 -0.69 0.00 0.00 174.62 175.63 1ncd s ALA 118 N 0.36 2.45 0.58 7.40 0.00 -1.26 -0.43 121.76 130.86 1ncd s ALA 118 Ca -0.08 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 1ncd s ALA 118 Cb -0.13 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1ncd s ALA 118 CO 0.02 -1.52 0.86 -1.25 0.00 0.00 0.00 175.76 173.87 1ncd s PRO 119 N -4.98 2.73 -0.14 0.00 0.04 -1.26 -4.10 135.00 127.29 1ncd s PRO 119 Ca 0.60 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1ncd s PRO 119 Cb -0.16 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.06 1ncd s PRO 119 CO 0.56 -0.74 -0.13 -1.12 0.04 0.00 0.00 177.00 175.60 1ncd s SER 120 N -4.35 2.59 -0.13 6.66 0.01 0.27 -4.94 113.70 113.82 1ncd s SER 120 Ca 0.55 -0.46 -0.05 0.00 1.31 0.00 0.00 55.95 57.30 1ncd s SER 120 Cb -0.10 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 1ncd s SER 120 CO 0.42 -0.05 0.06 -0.69 0.41 0.00 0.00 173.24 173.40 1ncd s VAL 121 N 1.45 4.85 -0.03 3.43 1.01 -1.26 -0.40 120.40 129.45 1ncd s VAL 121 Ca 0.03 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1ncd s VAL 121 Cb -0.13 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1ncd s VAL 121 CO -0.09 0.57 -0.16 -0.31 0.00 0.00 0.00 175.10 175.10 1ncd s TYR 122 N -0.56 1.52 -0.21 5.22 2.02 0.26 -5.00 117.35 120.61 1ncd s TYR 122 Ca 0.11 -0.36 -0.24 0.00 -0.37 0.00 0.00 57.07 56.21 1ncd s TYR 122 Cb -0.12 -1.00 -0.01 0.00 -0.40 0.00 0.00 41.96 40.42 1ncd s TYR 122 CO 0.02 -0.09 0.77 -1.25 -1.57 0.00 0.00 175.55 173.44 1ncd s PRO 123 N -0.17 4.23 -0.83 -1.71 0.04 -1.26 -1.08 135.00 134.22 1ncd s PRO 123 Ca 0.02 0.87 -0.12 0.00 0.04 0.00 0.00 61.00 61.80 1ncd s PRO 123 Cb -0.09 -3.60 0.22 0.00 0.04 0.00 0.00 34.50 31.07 1ncd s PRO 123 CO 0.01 -0.38 0.76 -0.51 0.04 0.00 0.00 177.00 176.91 1ncd s LEU 124 N 2.36 6.58 0.50 -3.56 1.43 0.20 -4.97 118.68 121.21 1ncd s LEU 124 Ca 0.34 -2.78 -0.13 0.00 -1.03 0.00 0.00 54.13 50.53 1ncd s LEU 124 Cb -0.16 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.82 1ncd s LEU 124 CO 0.10 -0.53 0.92 0.00 0.23 0.00 0.00 176.35 177.07 1ncd s ALA 125 N 0.03 3.17 0.38 4.21 0.00 -1.26 -1.42 121.76 126.87 1ncd s ALA 125 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 1ncd s ALA 125 Cb -0.11 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1ncd s ALA 125 CO -0.08 -0.25 0.61 -1.25 0.00 0.00 0.00 175.76 174.79 1ncd s PRO 126 N -4.22 3.51 -1.43 0.00 0.04 -1.26 -4.96 135.00 126.68 1ncd s PRO 126 Ca 0.55 -0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.29 1ncd s PRO 126 Cb -0.10 -2.59 0.06 0.00 0.04 0.00 0.00 34.50 31.91 1ncd s PRO 126 CO 0.36 0.06 2.22 1.55 0.04 0.00 0.00 177.00 181.22 1ncd n VAL 127 N -1.88 3.82 0.00 -0.36 3.14 -1.26 -4.55 118.33 117.24 1ncd n VAL 127 Ca -0.03 -3.36 0.00 0.00 -2.96 0.00 0.00 64.34 57.99 1ncd n VAL 127 Cb 0.56 -2.53 0.00 0.00 -1.06 0.00 0.00 33.84 30.81 1ncd n VAL 127 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ncd n GLY 129 N 0.00 -2.28 3.59 0.00 0.00 -1.26 -4.88 105.19 100.36 1ncd n GLY 129 Ca 0.00 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1ncd n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ncd s ASP 130 N -1.11 5.56 -0.99 1.61 2.15 -1.26 -4.78 116.67 117.85 1ncd s ASP 130 Ca 0.05 1.40 -0.23 0.00 0.43 0.00 0.00 52.55 54.19 1ncd s ASP 130 Cb -0.01 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.12 1ncd s ASP 130 CO 0.31 -1.95 1.54 -0.89 -0.17 0.00 0.00 175.17 174.01 1ncd s THR 133 N 8.02 3.82 0.00 1.71 2.01 0.14 -4.83 115.64 126.52 1ncd s THR 133 Ca 0.87 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1ncd s THR 133 Cb -0.25 -4.85 0.00 0.00 0.01 0.00 0.00 72.50 67.41 1ncd s THR 133 CO 0.32 -1.75 0.00 0.41 -0.69 0.00 0.00 174.62 172.92 1ncd n THR 134 N 7.06 0.00 -1.74 -0.82 -1.04 -1.26 -4.08 114.28 112.40 1ncd n THR 134 Ca 0.34 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.92 1ncd n THR 134 Cb 0.50 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.98 1ncd n THR 134 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ncd s GLY 135 N -2.25 0.93 -1.82 3.41 0.00 -1.26 -3.65 107.32 102.69 1ncd s GLY 135 Ca 0.00 0.86 -0.20 0.00 0.00 0.00 0.00 44.72 45.38 1ncd s GLY 135 CO 0.00 3.54 0.53 1.44 0.00 0.00 0.00 173.10 178.60 1ncd n SER 136 N 9.81 -1.53 -3.98 1.64 7.64 -1.26 -4.92 113.62 121.01 1ncd n SER 136 Ca 0.24 -1.23 -0.17 0.00 1.01 0.00 0.00 58.87 58.72 1ncd n SER 136 Cb 0.44 -1.73 -0.15 0.00 -1.01 0.00 0.00 64.21 61.77 1ncd n SER 136 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ncd s SER 137 N -3.44 0.84 -0.03 6.43 0.01 -1.24 -1.54 113.70 114.73 1ncd s SER 137 Ca 0.69 -0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.90 1ncd s SER 137 Cb -0.40 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.70 1ncd s SER 137 CO 1.01 0.08 -0.25 0.54 0.41 0.00 0.00 173.24 175.04 1ncd s VAL 138 N -0.10 1.98 -0.08 3.43 0.11 0.55 0.24 120.40 126.53 1ncd s VAL 138 Ca 0.02 -1.06 0.04 0.00 -2.93 0.00 0.00 61.98 58.05 1ncd s VAL 138 Cb -0.03 -1.65 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 1ncd s VAL 138 CO -0.00 0.56 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.24 1ncd s THR 139 N -0.46 2.53 0.03 5.04 2.01 -1.26 -0.49 115.64 123.05 1ncd s THR 139 Ca 0.06 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 1ncd s THR 139 Cb -0.11 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1ncd s THR 139 CO 0.00 0.56 -0.00 -1.48 -0.69 0.00 0.00 174.62 173.01 1ncd s LEU 140 N -0.14 2.21 0.00 4.42 2.34 0.60 -4.69 118.68 123.43 1ncd s LEU 140 Ca -0.03 -0.64 0.03 0.00 0.06 0.00 0.00 54.13 53.55 1ncd s LEU 140 Cb -0.14 0.24 -0.01 0.00 -0.56 0.00 0.00 46.19 45.72 1ncd s LEU 140 CO 0.04 -0.43 0.10 0.61 -1.06 0.00 0.00 176.35 175.61 1ncd n GLY 141 N 1.01 3.45 3.34 -3.48 0.00 -0.51 -0.80 105.19 108.20 1ncd n GLY 141 Ca -0.20 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.61 1ncd n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ncd s LEU 143 N 2.04 2.84 -0.36 0.00 2.96 -0.24 -2.09 118.68 123.83 1ncd s LEU 143 Ca -0.06 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.36 1ncd s LEU 143 Cb -0.10 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1ncd s LEU 143 CO -0.14 0.04 0.23 -0.69 -1.32 0.00 0.00 176.35 174.47 1ncd s VAL 144 N 1.12 4.93 0.05 1.68 1.01 -0.46 -0.57 120.40 128.16 1ncd s VAL 144 Ca 0.01 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.52 1ncd s VAL 144 Cb -0.15 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1ncd s VAL 144 CO -0.01 -0.14 -0.25 -0.75 0.00 0.00 0.00 175.10 173.95 1ncd s LYS 145 N 1.64 1.84 -0.57 2.72 2.20 0.46 -0.58 119.74 127.45 1ncd s LYS 145 Ca 0.04 -1.10 -0.16 0.00 -0.36 0.00 0.00 55.97 54.39 1ncd s LYS 145 Cb -0.18 -2.01 0.02 0.00 -1.51 0.00 0.00 37.83 34.15 1ncd s LYS 145 CO 0.08 0.52 0.64 0.41 -0.36 0.00 0.00 175.35 176.64 1ncd n GLY 146 N 1.70 -0.87 3.36 5.54 0.00 -0.47 -0.56 105.19 113.88 1ncd n GLY 146 Ca -0.17 0.95 -0.19 0.00 0.00 0.00 0.00 46.02 46.62 1ncd n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ncd s TYR 147 N -2.43 1.64 -0.28 1.61 1.13 -1.17 -4.26 117.35 113.58 1ncd s TYR 147 Ca 0.19 -1.24 -0.20 0.00 -1.41 0.00 0.00 57.07 54.42 1ncd s TYR 147 Cb -0.03 -0.95 0.08 0.00 -1.10 0.00 0.00 41.96 39.95 1ncd s TYR 147 CO 0.82 -0.36 0.72 0.12 -2.51 0.00 0.00 175.55 174.33 1ncd s PHE 148 N -3.59 -0.94 0.23 -3.49 5.36 0.43 -1.09 117.98 114.89 1ncd s PHE 148 Ca 0.35 2.01 0.03 0.00 -0.96 0.00 0.00 56.93 58.37 1ncd s PHE 148 Cb 0.06 0.48 0.03 0.00 -0.34 0.00 0.00 43.02 43.26 1ncd s PHE 148 CO 0.15 -0.46 0.28 -0.35 -1.46 0.00 0.00 175.22 173.39 1ncd n PRO 149 N 3.64 0.91 -2.28 10.12 -0.04 -1.26 -0.61 135.00 145.47 1ncd n PRO 149 Ca -0.18 -1.26 -0.38 0.00 -0.04 0.00 0.00 63.50 61.64 1ncd n PRO 149 Cb 0.57 -0.04 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 1ncd n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ncd s GLU 150 N -3.01 4.04 0.58 0.54 0.41 -1.26 -4.70 118.70 115.30 1ncd s GLU 150 Ca 0.22 1.85 0.07 0.00 -0.41 0.00 0.00 54.97 56.70 1ncd s GLU 150 Cb -0.02 -2.67 0.07 0.00 -1.78 0.00 0.00 34.13 29.74 1ncd s GLU 150 CO 0.14 -0.33 0.62 -1.25 -0.49 0.00 0.00 175.26 173.94 1ncd s PRO 151 N -2.31 2.23 0.03 0.39 0.04 -1.26 -5.05 135.00 129.06 1ncd s PRO 151 Ca 0.57 -1.90 0.02 0.00 0.04 0.00 0.00 61.00 59.73 1ncd s PRO 151 Cb -0.31 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 1ncd s PRO 151 CO 0.39 -0.82 -0.06 0.08 0.04 0.00 0.00 177.00 176.63 1ncd s VAL 152 N -2.77 0.43 -0.45 -0.36 1.01 -1.26 -4.48 120.40 112.52 1ncd s VAL 152 Ca 0.47 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1ncd s VAL 152 Cb -0.04 -0.49 0.12 0.00 0.00 0.00 0.00 36.38 35.97 1ncd s VAL 152 CO 0.30 -0.32 0.25 -0.89 0.00 0.00 0.00 175.10 174.44 1ncd s THR 153 N -1.16 3.36 -0.12 3.92 2.01 0.29 -4.94 115.64 118.99 1ncd s THR 153 Ca -0.09 -2.26 -0.16 0.00 0.31 0.00 0.00 61.69 59.49 1ncd s THR 153 Cb -0.08 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1ncd s THR 153 CO 0.00 -0.73 0.40 -0.22 -0.69 0.00 0.00 174.62 173.38 1ncd s LEU 154 N 0.88 4.28 0.02 4.42 0.20 -1.26 -1.05 118.68 126.16 1ncd s LEU 154 Ca 0.10 0.71 0.02 0.00 0.69 0.00 0.00 54.13 55.64 1ncd s LEU 154 Cb -0.22 -2.56 -0.01 0.00 -0.43 0.00 0.00 46.19 42.96 1ncd s LEU 154 CO -0.04 0.07 -0.06 0.28 -0.29 0.00 0.00 176.35 176.31 1ncd s THR 156 N 0.42 0.40 -0.13 3.68 -1.32 -0.57 -5.00 115.64 113.11 1ncd s THR 156 Ca 0.22 -0.59 -0.04 0.00 -1.21 0.00 0.00 61.69 60.07 1ncd s THR 156 Cb -0.14 -0.41 -0.03 0.00 -1.51 0.00 0.00 72.50 70.40 1ncd s THR 156 CO 0.08 -0.14 0.01 0.26 -2.21 0.00 0.00 174.62 172.63 1ncd s TRP 157 N -0.70 3.16 -1.25 9.09 0.52 -1.26 -1.03 118.94 127.47 1ncd s TRP 157 Ca -0.04 0.03 -0.27 0.00 0.02 0.00 0.00 56.10 55.83 1ncd s TRP 157 Cb -0.06 -1.92 0.03 0.00 -1.15 0.00 0.00 33.47 30.37 1ncd s TRP 157 CO -0.00 0.24 0.61 0.09 0.02 0.00 0.00 176.95 177.91 1ncd n ASN 162 N 2.93 -3.56 -2.98 2.95 4.13 0.81 -1.64 115.26 117.91 1ncd n ASN 162 Ca -0.18 -1.24 -0.22 0.00 1.68 0.00 0.00 54.58 54.62 1ncd n ASN 162 Cb 0.53 -1.98 0.02 0.00 -1.54 0.00 0.00 39.78 36.80 1ncd n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1ncd n SER 163 N -2.35 -5.48 0.00 6.41 7.64 -1.26 -1.12 113.62 117.46 1ncd n SER 163 Ca -0.14 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1ncd n SER 163 Cb 0.59 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 59.32 1ncd n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ncd n GLY 164 N -1.35 2.82 0.45 0.23 0.00 -0.65 -4.91 105.19 101.78 1ncd n GLY 164 Ca -0.11 -0.68 0.25 0.00 0.00 0.00 0.00 46.02 45.48 1ncd n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ncd h SER 165 N 0.00 0.00 -3.71 1.61 0.02 -1.17 -3.18 113.55 107.12 1ncd h SER 165 Ca 0.00 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.19 1ncd h SER 165 Cb 0.00 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.26 1ncd h SER 165 CO 0.00 0.00 -0.11 -0.22 -1.14 0.00 0.00 176.83 175.36 1ncd s LEU 166 N -7.39 6.23 -0.14 5.07 2.96 -0.98 -4.72 118.68 119.71 1ncd s LEU 166 Ca -0.04 -2.48 0.08 0.00 -0.22 0.00 0.00 54.13 51.46 1ncd s LEU 166 Cb 0.17 -2.11 -0.14 0.00 0.50 0.00 0.00 46.19 44.60 1ncd s LEU 166 CO 0.58 -0.59 -0.02 -1.20 -1.32 0.00 0.00 176.35 173.79 1ncd n SER 167 N 4.19 2.09 -4.88 3.68 7.64 -1.20 -4.17 113.62 120.97 1ncd n SER 167 Ca 0.05 -0.03 -0.31 0.00 1.01 0.00 0.00 58.87 59.59 1ncd n SER 167 Cb 0.43 0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 64.02 1ncd n SER 167 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ncd s SER 168 N -4.97 6.58 0.00 6.43 0.01 -1.26 -4.14 113.70 116.34 1ncd s SER 168 Ca -0.12 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1ncd s SER 168 Cb 0.05 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1ncd s SER 168 CO 0.49 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1ncd n GLY 169 N -0.34 0.81 3.81 3.44 0.00 -1.26 -4.78 105.19 106.86 1ncd n GLY 169 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1ncd n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ncd s VAL 171 N -2.22 4.65 -0.12 1.61 1.01 -1.26 -2.60 120.40 121.47 1ncd s VAL 171 Ca 0.00 1.25 -0.02 0.00 0.00 0.00 0.00 61.98 63.21 1ncd s VAL 171 Cb 0.00 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.52 1ncd s VAL 171 CO 0.00 0.41 0.03 -1.00 0.00 0.00 0.00 175.10 174.54 1ncd s HIS 172 N -1.28 0.65 -0.32 5.22 3.76 -1.03 -4.99 115.29 117.30 1ncd s HIS 172 Ca 0.35 -0.37 -0.11 0.00 -0.15 0.00 0.00 55.06 54.78 1ncd s HIS 172 Cb -0.19 -0.82 -0.02 0.00 1.11 0.00 0.00 32.58 32.66 1ncd s HIS 172 CO 0.21 -0.44 0.20 0.99 -0.85 0.00 0.00 174.74 174.85 1ncd s THR 173 N 1.98 5.00 0.30 1.30 2.01 -1.26 -1.14 115.64 123.83 1ncd s THR 173 Ca 0.03 -0.26 -0.28 0.00 0.31 0.00 0.00 61.69 61.49 1ncd s THR 173 Cb -0.14 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 1ncd s THR 173 CO -0.06 0.05 1.06 -0.36 -0.69 0.00 0.00 174.62 174.62 1ncd s PHE 174 N 1.68 3.58 0.18 4.92 0.08 0.77 -4.97 117.98 124.23 1ncd s PHE 174 Ca 0.06 1.73 -0.31 0.00 0.12 0.00 0.00 56.93 58.53 1ncd s PHE 174 Cb -0.17 -3.19 -0.17 0.00 -0.57 0.00 0.00 43.02 38.92 1ncd s PHE 174 CO 0.09 -0.37 0.78 -2.30 -0.10 0.00 0.00 175.22 173.31 1ncd n PRO 175 N 0.95 0.37 -2.46 0.24 -0.02 -1.26 -4.29 135.00 128.53 1ncd n PRO 175 Ca 0.00 0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.24 1ncd n PRO 175 Cb 0.46 -1.34 -0.03 0.00 -0.02 0.00 0.00 33.50 32.57 1ncd n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ncd s ALA 176 N -0.73 3.12 -0.02 3.55 0.00 -1.26 -4.82 121.76 121.60 1ncd s ALA 176 Ca 0.69 0.80 0.04 0.00 0.00 0.00 0.00 51.96 53.49 1ncd s ALA 176 Cb -0.94 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 18.86 1ncd s ALA 176 CO 0.56 -0.31 -0.15 0.54 0.00 0.00 0.00 175.76 176.39 1ncd s VAL 177 N -1.54 1.25 -0.41 0.00 0.11 -0.83 -4.95 120.40 114.04 1ncd s VAL 177 Ca 0.57 -0.65 -0.21 0.00 -2.93 0.00 0.00 61.98 58.76 1ncd s VAL 177 Cb -0.26 -1.05 0.01 0.00 -1.53 0.00 0.00 36.38 33.56 1ncd s VAL 177 CO 0.32 0.36 0.64 -0.22 -3.33 0.00 0.00 175.10 172.87 1ncd s LEU 178 N -0.19 4.39 -0.96 2.54 2.96 -1.26 -1.21 118.68 124.95 1ncd s LEU 178 Ca 0.02 -0.14 -0.17 0.00 -0.22 0.00 0.00 54.13 53.62 1ncd s LEU 178 Cb -0.08 -2.75 0.16 0.00 0.50 0.00 0.00 46.19 44.02 1ncd s LEU 178 CO 0.00 -0.71 1.11 -1.58 -1.32 0.00 0.00 176.35 173.85 1ncd s GLN 179 N 2.78 3.69 0.00 1.98 0.74 0.11 -4.87 119.66 124.09 1ncd s GLN 179 Ca 0.23 -2.05 0.00 0.00 0.05 0.00 0.00 55.36 53.60 1ncd s GLN 179 Cb -0.14 -4.84 0.00 0.00 1.10 0.00 0.00 33.01 29.13 1ncd s GLN 179 CO 0.17 -1.67 0.00 0.43 -0.55 0.00 0.00 175.29 173.67 1ncd n SER 180 N 5.84 0.00 -0.01 6.67 7.64 -1.26 -2.62 113.62 129.88 1ncd n SER 180 Ca 0.24 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.21 1ncd n SER 180 Cb 0.48 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.54 1ncd n SER 180 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ncd n ASP 183 N 0.37 0.73 -4.07 6.43 2.03 -1.26 -5.04 116.55 115.74 1ncd n ASP 183 Ca 0.00 -0.20 -0.10 0.00 0.52 0.00 0.00 54.79 55.01 1ncd n ASP 183 Cb 0.00 1.68 -0.08 0.00 -0.72 0.00 0.00 41.12 42.00 1ncd n ASP 183 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ncd s LEU 184 N -4.00 1.02 -0.09 -2.67 1.43 -1.08 -4.85 118.68 108.44 1ncd s LEU 184 Ca -0.04 -1.08 -0.10 0.00 -1.03 0.00 0.00 54.13 51.88 1ncd s LEU 184 Cb 0.12 0.94 -0.05 0.00 0.03 0.00 0.00 46.19 47.24 1ncd s LEU 184 CO 0.78 -0.90 0.22 -0.31 0.23 0.00 0.00 176.35 176.37 1ncd s TYR 185 N -4.04 3.62 -0.04 0.29 2.02 -0.25 0.09 117.35 119.03 1ncd s TYR 185 Ca 0.25 0.65 0.06 0.00 -0.37 0.00 0.00 57.07 57.66 1ncd s TYR 185 Cb 0.04 -2.07 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1ncd s TYR 185 CO 0.05 0.66 -0.22 0.99 -1.57 0.00 0.00 175.55 175.47 1ncd s THR 186 N -0.88 1.76 0.11 -0.71 2.01 -0.35 -1.37 115.64 116.20 1ncd s THR 186 Ca 0.17 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1ncd s THR 186 Cb -0.13 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1ncd s THR 186 CO 0.06 0.50 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.18 1ncd s LEU 187 N -0.19 2.46 -0.22 4.42 2.96 0.25 -1.96 118.68 126.41 1ncd s LEU 187 Ca -0.00 -0.90 -0.26 0.00 -0.22 0.00 0.00 54.13 52.74 1ncd s LEU 187 Cb -0.12 -0.26 0.07 0.00 0.50 0.00 0.00 46.19 46.39 1ncd s LEU 187 CO 0.02 -0.32 0.72 -0.94 -1.32 0.00 0.00 176.35 174.50 1ncd s SER 188 N -2.76 -0.72 0.04 3.68 1.04 -1.26 -1.36 113.70 112.36 1ncd s SER 188 Ca 0.10 1.26 0.01 0.00 0.48 0.00 0.00 55.95 57.79 1ncd s SER 188 Cb 0.00 1.23 -0.03 0.00 0.10 0.00 0.00 66.02 67.33 1ncd s SER 188 CO -0.01 -0.33 -0.05 -0.94 0.98 0.00 0.00 173.24 172.89 1ncd s SER 189 N -0.00 0.56 0.26 7.02 1.04 -0.89 -0.16 113.70 121.53 1ncd s SER 189 Ca -0.03 -0.61 0.08 0.00 0.48 0.00 0.00 55.95 55.87 1ncd s SER 189 Cb -0.04 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 1ncd s SER 189 CO 0.03 -0.31 0.12 -0.94 0.98 0.00 0.00 173.24 173.12 1ncd s SER 190 N -1.78 5.09 -0.11 7.02 1.04 -0.29 -2.11 113.70 122.55 1ncd s SER 190 Ca -0.09 -0.44 -0.12 0.00 0.48 0.00 0.00 55.95 55.79 1ncd s SER 190 Cb -0.07 -1.14 0.03 0.00 0.10 0.00 0.00 66.02 64.94 1ncd s SER 190 CO -0.02 -0.04 0.32 0.54 0.98 0.00 0.00 173.24 175.02 1ncd s VAL 191 N -2.23 0.01 -0.15 5.02 0.11 0.02 -2.45 120.40 120.73 1ncd s VAL 191 Ca 0.33 -0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.32 1ncd s VAL 191 Cb -0.07 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.30 1ncd s VAL 191 CO 0.23 -0.02 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.98 1ncd s THR 192 N 0.03 3.16 0.14 5.04 2.01 -1.07 -0.29 115.64 124.66 1ncd s THR 192 Ca -0.01 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.40 1ncd s THR 192 Cb -0.03 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1ncd s THR 192 CO 0.01 0.50 -0.06 0.68 -0.69 0.00 0.00 174.62 175.06 1ncd s VAL 193 N 0.59 0.87 0.55 3.82 -7.23 0.35 -4.67 120.40 114.68 1ncd s VAL 193 Ca -0.07 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 57.94 1ncd s VAL 193 Cb -0.15 -1.87 -0.06 0.00 0.56 0.00 0.00 36.38 34.86 1ncd s VAL 193 CO 0.03 -0.72 1.03 0.42 -0.31 0.00 0.00 175.10 175.56 1ncd s THR 194 N -3.52 4.03 0.47 5.32 -4.23 -1.26 -0.33 115.64 116.12 1ncd s THR 194 Ca 0.17 1.02 0.17 0.00 -1.18 0.00 0.00 61.69 61.87 1ncd s THR 194 Cb 0.05 -3.49 0.34 0.00 1.34 0.00 0.00 72.50 70.73 1ncd s THR 194 CO -0.00 -0.51 2.01 0.28 -0.54 0.00 0.00 174.62 175.85 1ncd h SER 195 N 0.78 0.22 -0.35 3.99 0.02 -1.55 -1.42 113.55 115.23 1ncd h SER 195 Ca -0.47 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 1ncd h SER 195 Cb 1.21 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1ncd h SER 195 CO 0.59 0.13 0.09 0.28 -1.14 0.00 0.00 176.83 176.78 1ncd h SER 196 N 0.24 0.59 0.47 3.07 0.02 -1.92 -2.77 113.55 113.26 1ncd h SER 196 Ca 0.23 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 1ncd h SER 196 Cb 0.60 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1ncd h SER 196 CO -0.05 0.59 -0.54 0.74 -1.14 0.00 0.00 176.83 176.43 1ncd h THR 198 N 0.62 1.38 -3.41 -2.27 2.02 -1.63 -3.40 112.91 106.21 1ncd h THR 198 Ca 0.14 -1.86 -0.20 0.00 0.77 0.00 0.00 66.41 65.26 1ncd h THR 198 Cb 0.25 1.97 -0.27 0.00 -1.74 0.00 0.00 68.15 68.36 1ncd h THR 198 CO -0.00 0.54 -0.57 0.86 0.37 0.00 0.00 175.52 176.71 1ncd s TRP 199 N -3.81 -0.14 -1.51 3.16 -0.00 -1.04 0.33 118.94 115.92 1ncd s TRP 199 Ca -0.02 0.35 0.01 0.00 -0.00 0.00 0.00 56.10 56.43 1ncd s TRP 199 Cb 0.13 0.04 0.03 0.00 -0.00 0.00 0.00 33.47 33.67 1ncd s TRP 199 CO 0.76 -0.07 0.80 -2.30 -0.00 0.00 0.00 176.95 176.14 1ncd n PRO 200 N 3.08 1.12 0.15 5.86 -0.02 -1.26 -4.68 135.00 139.25 1ncd n PRO 200 Ca -0.13 -0.12 -0.11 0.00 -2.02 0.00 0.00 63.50 61.12 1ncd n PRO 200 Cb 0.59 -1.27 -0.06 0.00 -0.02 0.00 0.00 33.50 32.74 1ncd n PRO 200 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ncd h SER 202 N 0.18 -0.39 -4.24 2.55 0.02 -1.77 -3.44 113.55 106.46 1ncd h SER 202 Ca 0.00 -0.13 -0.48 0.00 -0.84 0.00 0.00 61.79 60.33 1ncd h SER 202 Cb 0.29 0.10 0.08 0.00 0.14 0.00 0.00 62.40 63.01 1ncd h SER 202 CO 0.01 0.07 0.34 -1.10 -1.14 0.00 0.00 176.83 175.01 1ncd s GLN 203 N -3.70 2.70 -0.97 3.45 -1.52 0.15 -5.00 119.66 114.77 1ncd s GLN 203 Ca -0.11 0.24 -0.13 0.00 -1.95 0.00 0.00 55.36 53.41 1ncd s GLN 203 Cb 0.01 -2.08 0.21 0.00 -0.22 0.00 0.00 33.01 30.93 1ncd s GLN 203 CO 0.38 -1.05 1.01 -1.54 -0.25 0.00 0.00 175.29 173.85 1ncd s SER 204 N -4.39 6.94 0.24 5.90 1.04 -1.26 -4.68 113.70 117.49 1ncd s SER 204 Ca 0.58 -2.87 -0.30 0.00 0.48 0.00 0.00 55.95 53.84 1ncd s SER 204 Cb -0.11 -2.27 -0.09 0.00 0.10 0.00 0.00 66.02 63.65 1ncd s SER 204 CO 0.49 -0.60 1.22 -0.63 0.98 0.00 0.00 173.24 174.70 1ncd s ILE 205 N 0.37 3.28 -0.02 -1.02 -1.09 -1.26 -4.97 121.20 116.49 1ncd s ILE 205 Ca 0.27 1.17 -0.06 0.00 -2.23 0.00 0.00 60.65 59.80 1ncd s ILE 205 Cb -0.08 -3.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.06 1ncd s ILE 205 CO -0.08 0.23 0.14 -0.89 -1.23 0.00 0.00 174.94 173.11 1ncd s THR 206 N -0.54 0.05 -0.26 2.92 2.01 -1.26 -1.83 115.64 116.73 1ncd s THR 206 Ca 0.51 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 1ncd s THR 206 Cb -0.35 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 1ncd s THR 206 CO 0.42 -0.23 0.09 0.00 -0.69 0.00 0.00 174.62 174.21 1ncd s ASN 209 N 1.62 4.54 -0.14 0.00 -0.87 -0.19 -0.73 114.94 119.16 1ncd s ASN 209 Ca 0.06 -0.27 0.01 0.00 -1.57 0.00 0.00 52.86 51.09 1ncd s ASN 209 Cb -0.15 -1.76 0.02 0.00 -0.02 0.00 0.00 41.25 39.34 1ncd s ASN 209 CO 0.04 0.07 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.80 1ncd s VAL 210 N 0.94 1.66 -0.18 1.60 1.01 0.56 -1.50 120.40 124.48 1ncd s VAL 210 Ca -0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1ncd s VAL 210 Cb -0.15 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 1ncd s VAL 210 CO 0.01 0.47 -0.11 0.00 0.00 0.00 0.00 175.10 175.48 1ncd s ALA 211 N 1.29 2.64 -0.42 5.51 0.00 -0.22 -0.17 121.76 130.40 1ncd s ALA 211 Ca 0.01 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1ncd s ALA 211 Cb -0.14 -1.43 0.11 0.00 0.00 0.00 0.00 23.12 21.67 1ncd s ALA 211 CO -0.08 -0.19 0.17 -1.58 0.00 0.00 0.00 175.76 174.07 1ncd s HIS 212 N 1.08 3.56 -0.19 0.00 2.46 0.14 -0.54 115.29 121.80 1ncd s HIS 212 Ca 0.00 -2.90 0.27 0.00 0.47 0.00 0.00 55.06 52.91 1ncd s HIS 212 Cb -0.15 -2.99 0.78 0.00 -0.13 0.00 0.00 32.58 30.09 1ncd s HIS 212 CO -0.02 -0.90 1.77 -1.00 -2.47 0.00 0.00 174.74 172.12 1ncd h PRO 213 N 7.39 0.00 -0.06 2.88 0.13 -1.78 0.97 132.00 141.53 1ncd h PRO 213 Ca -0.07 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1ncd h PRO 213 Cb 0.99 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1ncd h PRO 213 CO 0.61 0.02 -0.04 0.00 -0.23 0.00 0.00 178.00 178.36 1ncd h ALA 214 N 1.98 0.01 -0.04 -0.56 0.00 -1.92 -2.98 119.26 115.75 1ncd h ALA 214 Ca -0.00 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1ncd h ALA 214 Cb 0.80 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ncd h ALA 214 CO 0.00 -0.52 -0.74 0.66 0.00 0.00 0.00 179.25 178.65 1ncd h SER 215 N -0.05 0.33 -1.17 0.00 4.64 -1.86 -3.48 113.55 111.97 1ncd h SER 215 Ca 0.04 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1ncd h SER 215 Cb 0.10 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ncd h SER 215 CO -0.09 0.96 0.00 -1.20 -0.87 0.00 0.00 176.83 175.63 1ncd n SER 216 N -3.78 -0.78 -4.17 4.97 7.64 -0.90 -5.07 113.62 111.53 1ncd n SER 216 Ca -0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.54 1ncd n SER 216 Cb 0.71 -0.29 -0.17 0.00 -1.01 0.00 0.00 64.21 63.46 1ncd n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ncd s THR 217 N -2.39 1.84 -0.17 0.44 2.01 0.29 -5.00 115.64 112.66 1ncd s THR 217 Ca 0.00 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 1ncd s THR 217 Cb 0.00 -1.61 0.05 0.00 0.01 0.00 0.00 72.50 70.95 1ncd s THR 217 CO 0.00 0.51 -0.02 -0.54 -0.69 0.00 0.00 174.62 173.88 1ncd s LYS 218 N 0.47 1.12 0.09 4.92 3.01 -1.26 -0.68 119.74 127.40 1ncd s LYS 218 Ca -0.17 -0.48 0.09 0.00 -1.01 0.00 0.00 55.97 54.41 1ncd s LYS 218 Cb -0.17 -2.00 -0.04 0.00 -1.01 0.00 0.00 37.83 34.61 1ncd s LYS 218 CO 0.07 -0.51 -0.23 0.08 0.51 0.00 0.00 175.35 175.27 1ncd s VAL 219 N 1.71 2.44 -0.22 3.17 1.01 0.77 -4.97 120.40 124.32 1ncd s VAL 219 Ca -0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 61.98 60.44 1ncd s VAL 219 Cb -0.16 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.25 1ncd s VAL 219 CO -0.07 0.22 0.11 -1.81 0.00 0.00 0.00 175.10 173.54 1ncd s ASP 220 N -1.72 2.82 -0.23 3.32 1.11 -1.26 -0.32 116.67 120.39 1ncd s ASP 220 Ca 0.14 -0.88 -0.07 0.00 0.18 0.00 0.00 52.55 51.92 1ncd s ASP 220 Cb -0.10 -0.29 -0.03 0.00 1.07 0.00 0.00 42.92 43.57 1ncd s ASP 220 CO 0.06 -0.38 0.07 -0.54 1.18 0.00 0.00 175.17 175.55 1ncd s LYS 221 N 2.12 3.74 0.11 8.23 -0.14 0.09 -4.92 119.74 128.97 1ncd s LYS 221 Ca 0.05 -0.44 -0.30 0.00 -1.36 0.00 0.00 55.97 53.91 1ncd s LYS 221 Cb -0.16 -3.29 -0.06 0.00 -1.68 0.00 0.00 37.83 32.64 1ncd s LYS 221 CO -0.20 -0.06 1.04 0.15 -0.76 0.00 0.00 175.35 175.52 1ncd s LYS 222 N 1.28 4.61 -0.74 1.68 1.02 -1.26 -1.49 119.74 124.84 1ncd s LYS 222 Ca 0.05 1.58 -0.15 0.00 0.02 0.00 0.00 55.97 57.47 1ncd s LYS 222 Cb -0.15 -3.35 0.19 0.00 -0.52 0.00 0.00 37.83 34.01 1ncd s LYS 222 CO 0.03 0.07 0.69 0.42 -0.92 0.00 0.00 175.35 175.64 1ncd s ILE 223 N 0.20 5.49 0.06 2.17 1.09 -0.76 -4.80 121.20 124.65 1ncd s ILE 223 Ca 0.50 -2.18 -0.06 0.00 -1.10 0.00 0.00 60.65 57.81 1ncd s ILE 223 Cb -0.26 -4.43 -0.05 0.00 -1.06 0.00 0.00 42.46 36.66 1ncd s ILE 223 CO 0.31 -0.98 0.31 -0.70 -0.10 0.00 0.00 174.94 173.78 1ncd s GLU 224 N 0.60 3.60 0.00 2.79 -6.30 -1.26 -4.63 118.70 113.50 1ncd s GLU 224 Ca 0.13 -0.08 0.08 0.00 -2.50 0.00 0.00 54.97 52.60 1ncd s GLU 224 Cb -0.16 -3.01 0.51 0.00 0.00 0.00 0.00 34.13 31.47 1ncd s GLU 224 CO -0.05 0.59 0.92 -0.35 0.02 0.00 0.00 175.26 176.39 1ncd n PRO 225 N 0.75 0.37 -0.00 4.30 -0.04 -1.26 -4.85 135.00 134.27 1ncd n PRO 225 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1ncd n PRO 225 Cb 0.52 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1ncd n PRO 225 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1ncd n ARG 226 N -0.86 0.00 0.00 0.54 1.85 -1.26 -4.78 116.66 112.15 1ncd n ARG 226 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 1ncd n ARG 226 Cb 0.03 -0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.44 1ncd n ARG 226 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03