#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zea s ILE 2 N 0.00 4.86 0.01 -0.39 1.01 -1.26 -3.95 121.20 121.48 1zea s ILE 2 Ca 0.00 1.86 -0.11 0.00 0.00 0.00 0.00 60.65 62.40 1zea s ILE 2 Cb 0.00 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.25 1zea s ILE 2 CO 0.00 0.08 0.23 -1.10 0.00 0.00 0.00 174.94 174.15 1zea s GLN 3 N 1.65 0.65 -0.27 2.79 -0.21 -0.63 -4.99 119.66 118.65 1zea s GLN 3 Ca 0.45 -0.42 0.02 0.00 0.02 0.00 0.00 55.36 55.43 1zea s GLN 3 Cb -0.18 0.28 0.07 0.00 1.00 0.00 0.00 33.01 34.17 1zea s GLN 3 CO 0.19 -0.18 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.62 1zea s LEU 4 N -1.67 3.39 -0.26 2.90 1.43 -1.26 -1.04 118.68 122.17 1zea s LEU 4 Ca -0.10 -1.50 -0.09 0.00 -1.03 0.00 0.00 54.13 51.41 1zea s LEU 4 Cb -0.04 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1zea s LEU 4 CO 0.00 -0.25 0.13 -0.69 0.23 0.00 0.00 176.35 175.77 1zea s VAL 5 N 1.17 4.81 0.23 -1.59 1.01 0.05 -2.69 120.40 123.39 1zea s VAL 5 Ca -0.03 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1zea s VAL 5 Cb -0.19 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1zea s VAL 5 CO -0.07 0.30 0.34 -1.10 0.00 0.00 0.00 175.10 174.57 1zea s GLN 6 N 1.67 3.42 0.93 2.72 -0.21 -1.26 -0.85 119.66 126.08 1zea s GLN 6 Ca 0.07 -0.74 -0.11 0.00 0.02 0.00 0.00 55.36 54.59 1zea s GLN 6 Cb -0.15 -2.89 0.15 0.00 1.00 0.00 0.00 33.01 31.11 1zea s GLN 6 CO 0.07 0.44 1.09 -1.54 -2.12 0.00 0.00 175.29 173.24 1zea s SER 7 N -3.85 3.09 1.05 5.90 1.04 -0.61 -4.94 113.70 115.39 1zea s SER 7 Ca 0.34 1.67 -0.13 0.00 0.48 0.00 0.00 55.95 58.31 1zea s SER 7 Cb -0.09 -2.31 0.22 0.00 0.10 0.00 0.00 66.02 63.93 1zea s SER 7 CO 0.29 -2.91 1.09 -0.83 0.98 0.00 0.00 173.24 171.86 1zea s GLY 8 N -3.13 1.56 0.54 7.32 0.00 -1.26 -4.58 107.32 107.78 1zea s GLY 8 Ca 0.65 -0.44 -0.22 0.00 0.00 0.00 0.00 44.72 44.71 1zea s GLY 8 CO 0.58 0.23 1.36 2.56 0.00 0.00 0.00 173.10 177.83 1zea s PRO 9 N -4.97 3.15 0.11 2.90 0.04 -1.26 -4.74 135.00 130.23 1zea s PRO 9 Ca 0.66 2.24 0.08 0.00 0.04 0.00 0.00 61.00 64.02 1zea s PRO 9 Cb -0.18 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1zea s PRO 9 CO 0.58 -1.18 -0.19 -1.21 0.04 0.00 0.00 177.00 175.05 1zea s GLU 10 N -2.90 1.09 -0.09 4.56 0.41 -0.27 -4.99 118.70 116.51 1zea s GLU 10 Ca 0.71 -1.18 0.01 0.00 -0.41 0.00 0.00 54.97 54.10 1zea s GLU 10 Cb -0.40 -1.24 0.02 0.00 -1.78 0.00 0.00 34.13 30.72 1zea s GLU 10 CO 0.48 0.28 -0.10 -1.17 -0.49 0.00 0.00 175.26 174.25 1zea s LEU 11 N -2.08 1.42 0.17 1.80 2.96 -1.26 -1.07 118.68 120.62 1zea s LEU 11 Ca 0.07 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1zea s LEU 11 Cb -0.09 -0.85 -0.05 0.00 0.50 0.00 0.00 46.19 45.71 1zea s LEU 11 CO 0.04 -0.05 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.47 1zea s LYS 12 N 1.22 1.11 0.24 1.98 -0.14 -0.06 -4.98 119.74 119.10 1zea s LYS 12 Ca -0.04 -1.53 0.07 0.00 -1.36 0.00 0.00 55.97 53.11 1zea s LYS 12 Cb -0.14 -0.33 -0.04 0.00 -1.68 0.00 0.00 37.83 35.65 1zea s LYS 12 CO -0.03 -0.10 0.17 0.95 -0.76 0.00 0.00 175.35 175.58 1zea s THR 13 N -3.60 4.36 0.32 2.17 -4.23 -1.26 -1.22 115.64 112.18 1zea s THR 13 Ca 0.23 -1.41 -0.28 0.00 -1.18 0.00 0.00 61.69 59.05 1zea s THR 13 Cb 0.06 -3.33 -0.13 0.00 1.34 0.00 0.00 72.50 70.44 1zea s THR 13 CO 0.03 -0.32 1.21 -2.65 -0.54 0.00 0.00 174.62 172.36 1zea n PRO 14 N -1.03 1.89 0.00 3.99 -0.02 -1.26 -2.21 135.00 136.37 1zea n PRO 14 Ca -0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1zea n PRO 14 Cb 0.57 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1zea n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zea n GLY 15 N 0.96 2.12 3.95 -1.23 0.00 0.98 -4.87 105.19 107.09 1zea n GLY 15 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1zea n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zea s GLU 16 N -0.72 1.20 0.13 1.61 2.02 -0.94 -4.15 118.70 117.85 1zea s GLU 16 Ca 0.00 -0.55 0.11 0.00 0.02 0.00 0.00 54.97 54.55 1zea s GLU 16 Cb 0.00 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 1zea s GLU 16 CO 0.00 -1.96 -0.25 0.99 0.02 0.00 0.00 175.26 174.06 1zea s THR 17 N -3.59 2.38 0.03 3.63 2.01 -1.26 -0.73 115.64 118.11 1zea s THR 17 Ca 0.69 -1.71 0.01 0.00 0.31 0.00 0.00 61.69 60.99 1zea s THR 17 Cb -0.06 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1zea s THR 17 CO 0.49 0.09 -0.05 0.54 -0.69 0.00 0.00 174.62 175.01 1zea s VAL 18 N -1.09 0.25 -0.08 3.82 0.11 -0.61 -5.00 120.40 117.81 1zea s VAL 18 Ca 0.15 -0.94 -0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1zea s VAL 18 Cb -0.10 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1zea s VAL 18 CO 0.07 -0.44 -0.04 -0.60 -3.33 0.00 0.00 175.10 170.76 1zea s ARG 19 N -1.45 1.00 -0.02 1.54 3.52 -1.26 -1.16 118.95 121.12 1zea s ARG 19 Ca -0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 1zea s ARG 19 Cb -0.10 -1.15 -0.04 0.00 -1.56 0.00 0.00 34.95 32.11 1zea s ARG 19 CO -0.01 -0.22 0.02 0.42 -0.81 0.00 0.00 175.30 174.71 1zea s ILE 20 N 1.55 4.36 0.26 4.11 1.01 0.59 -4.95 121.20 128.14 1zea s ILE 20 Ca -0.00 -0.48 0.11 0.00 0.00 0.00 0.00 60.65 60.28 1zea s ILE 20 Cb -0.13 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 1zea s ILE 20 CO -0.04 0.41 -0.17 -0.94 0.00 0.00 0.00 174.94 174.20 1zea s SER 21 N -1.49 3.74 -0.23 3.58 1.04 -1.26 -0.79 113.70 118.28 1zea s SER 21 Ca 0.19 -0.93 -0.03 0.00 0.48 0.00 0.00 55.95 55.66 1zea s SER 21 Cb -0.12 -0.39 0.11 0.00 0.10 0.00 0.00 66.02 65.72 1zea s SER 21 CO 0.10 0.05 0.24 0.00 0.98 0.00 0.00 173.24 174.60 1zea s LYS 23 N 2.32 3.82 0.09 0.00 2.20 -0.03 -0.83 119.74 127.32 1zea s LYS 23 Ca 0.08 -0.40 -0.14 0.00 -0.36 0.00 0.00 55.97 55.15 1zea s LYS 23 Cb -0.15 -3.33 -0.06 0.00 -1.51 0.00 0.00 37.83 32.78 1zea s LYS 23 CO -0.20 -0.00 0.48 0.00 -0.36 0.00 0.00 175.35 175.27 1zea s ALA 24 N 1.14 3.65 0.03 3.13 0.00 0.00 -0.77 121.76 128.95 1zea s ALA 24 Ca 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 1zea s ALA 24 Cb -0.14 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1zea s ALA 24 CO 0.04 0.49 -0.03 -1.54 0.00 0.00 0.00 175.76 174.71 1zea s SER 25 N -1.54 0.34 0.00 0.00 1.04 -0.20 -4.81 113.70 108.53 1zea s SER 25 Ca 0.33 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1zea s SER 25 Cb -0.15 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1zea s SER 25 CO 0.18 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1zea n GLY 26 N 1.05 1.09 3.52 7.32 0.00 -1.25 -1.61 105.19 115.30 1zea n GLY 26 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1zea n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1zea s TYR 27 N -2.59 -0.28 -0.36 1.61 1.13 -1.26 -4.70 117.35 110.89 1zea s TYR 27 Ca 0.00 -0.03 -0.29 0.00 -1.41 0.00 0.00 57.07 55.34 1zea s TYR 27 Cb 0.00 0.49 0.00 0.00 -1.10 0.00 0.00 41.96 41.35 1zea s TYR 27 CO 0.00 -0.92 1.42 0.99 -2.51 0.00 0.00 175.55 174.53 1zea s THR 28 N -3.83 3.92 0.30 -3.49 2.01 -1.26 -4.89 115.64 108.40 1zea s THR 28 Ca 0.06 0.98 0.06 0.00 0.31 0.00 0.00 61.69 63.10 1zea s THR 28 Cb -0.01 -4.12 0.30 0.00 0.01 0.00 0.00 72.50 68.67 1zea s THR 28 CO -0.06 -0.62 1.74 0.15 -0.69 0.00 0.00 174.62 175.14 1zea h PHE 29 N 10.45 0.92 0.00 4.92 3.57 -1.93 -1.18 116.94 133.69 1zea h PHE 29 Ca -0.28 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1zea h PHE 29 Cb 1.11 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1zea h PHE 29 CO 0.94 0.09 0.00 0.25 -2.23 0.00 0.00 178.31 177.36 1zea n THR 30 N -4.89 0.00 1.02 4.41 -2.24 -1.26 -3.37 114.28 107.95 1zea n THR 30 Ca 0.24 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.14 1zea n THR 30 Cb 0.65 -0.40 0.09 0.00 -2.10 0.00 0.00 70.33 68.57 1zea n THR 30 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1zea n THR 31 N -0.81 0.00 -4.04 4.28 -2.24 -0.45 -3.91 114.28 107.11 1zea n THR 31 Ca 0.12 -0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 61.33 1zea n THR 31 Cb 0.06 1.37 -0.15 0.00 -2.10 0.00 0.00 70.33 69.50 1zea n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1zea s TYR 32 N -2.15 0.37 0.58 4.78 1.51 -1.22 -5.02 117.35 116.19 1zea s TYR 32 Ca 0.25 -0.05 -0.19 0.00 -1.01 0.00 0.00 57.07 56.07 1zea s TYR 32 Cb 0.19 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.68 1zea s TYR 32 CO 0.39 -0.06 1.19 0.20 -1.11 0.00 0.00 175.55 176.15 1zea s GLY 33 N 0.38 2.72 -0.17 0.71 0.00 -1.23 -4.40 107.32 105.32 1zea s GLY 33 Ca -0.04 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1zea s GLY 33 CO -0.01 1.35 -0.17 -0.29 0.00 0.00 0.00 173.10 173.99 1zea s MET 34 N -3.30 3.13 0.25 2.90 1.75 -0.57 -1.34 119.30 122.12 1zea s MET 34 Ca 0.76 -0.78 0.05 0.00 -1.25 0.00 0.00 55.69 54.47 1zea s MET 34 Cb -0.29 -2.62 -0.03 0.00 2.84 0.00 0.00 34.83 34.74 1zea s MET 34 CO 0.31 -0.08 0.35 -1.12 -0.65 0.00 0.00 175.02 173.83 1zea s SER 35 N 1.04 6.16 -0.06 1.11 0.01 0.21 -0.06 113.70 122.11 1zea s SER 35 Ca -0.01 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.29 1zea s SER 35 Cb -0.15 -1.73 -0.00 0.00 0.21 0.00 0.00 66.02 64.35 1zea s SER 35 CO -0.05 -0.10 -0.20 0.26 0.41 0.00 0.00 173.24 173.57 1zea s TRP 36 N -2.02 1.98 -0.04 2.43 0.52 -0.76 -1.54 118.94 119.51 1zea s TRP 36 Ca 0.35 -0.64 0.02 0.00 0.02 0.00 0.00 56.10 55.86 1zea s TRP 36 Cb -0.09 -1.33 0.01 0.00 -1.15 0.00 0.00 33.47 30.91 1zea s TRP 36 CO 0.29 -0.23 -0.09 0.08 0.02 0.00 0.00 176.95 177.02 1zea s VAL 37 N 0.11 0.81 -0.18 4.03 1.01 0.37 -0.67 120.40 125.87 1zea s VAL 37 Ca -0.07 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 1zea s VAL 37 Cb -0.14 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 1zea s VAL 37 CO 0.04 0.26 0.11 -0.75 0.00 0.00 0.00 175.10 174.76 1zea s LYS 38 N 0.40 4.03 -0.08 2.72 2.20 0.61 -0.64 119.74 128.97 1zea s LYS 38 Ca -0.07 -0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.32 1zea s LYS 38 Cb -0.11 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1zea s LYS 38 CO 0.01 0.34 -0.21 -1.14 -0.36 0.00 0.00 175.35 174.00 1zea s GLN 39 N 0.21 2.59 0.07 4.03 0.74 0.13 -0.64 119.66 126.79 1zea s GLN 39 Ca 0.07 -0.75 0.05 0.00 0.05 0.00 0.00 55.36 54.78 1zea s GLN 39 Cb -0.12 -2.02 -0.03 0.00 1.10 0.00 0.00 33.01 31.95 1zea s GLN 39 CO -0.01 0.16 -0.13 0.95 -0.55 0.00 0.00 175.29 175.72 1zea s THR 40 N 0.36 1.01 0.44 -0.34 -4.23 -0.74 -0.86 115.64 111.29 1zea s THR 40 Ca -0.16 -1.34 0.31 0.00 -1.18 0.00 0.00 61.69 59.33 1zea s THR 40 Cb -0.17 -1.06 0.34 0.00 1.34 0.00 0.00 72.50 72.95 1zea s THR 40 CO 0.07 -0.30 2.13 1.55 -0.54 0.00 0.00 174.62 177.53 1zea h PRO 41 N 4.18 0.00 -0.31 3.99 0.13 -1.93 -1.03 132.00 137.04 1zea h PRO 41 Ca -0.40 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 1zea h PRO 41 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1zea h PRO 41 CO 0.42 0.07 -0.01 0.41 -0.23 0.00 0.00 178.00 178.67 1zea n GLY 42 N -0.75 4.43 0.00 1.56 0.00 -1.26 -4.58 105.19 104.59 1zea n GLY 42 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1zea n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1zea n LYS 43 N -0.81 0.85 0.00 1.61 4.76 -1.17 -5.15 118.16 118.24 1zea n LYS 43 Ca 0.27 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1zea n LYS 43 Cb 0.97 -0.07 0.00 0.00 -1.84 0.00 0.00 35.03 34.09 1zea n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1zea n GLY 44 N 0.00 -0.09 3.77 0.72 0.00 -0.40 -4.85 105.19 104.35 1zea n GLY 44 Ca 0.00 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 1zea n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1zea s PHE 45 N 0.00 3.60 -0.10 1.61 0.08 -1.26 -1.79 117.98 120.12 1zea s PHE 45 Ca 0.00 0.93 -0.01 0.00 0.12 0.00 0.00 56.93 57.98 1zea s PHE 45 Cb 0.00 -2.44 0.03 0.00 -0.57 0.00 0.00 43.02 40.03 1zea s PHE 45 CO 0.00 0.37 -0.06 0.15 -0.10 0.00 0.00 175.22 175.58 1zea s LYS 46 N -0.09 1.32 -0.12 0.44 -0.14 0.19 -4.97 119.74 116.36 1zea s LYS 46 Ca 0.25 -0.17 -0.30 0.00 -1.36 0.00 0.00 55.97 54.39 1zea s LYS 46 Cb -0.16 -1.44 -0.02 0.00 -1.68 0.00 0.00 37.83 34.53 1zea s LYS 46 CO 0.11 -0.27 1.14 -0.46 -0.76 0.00 0.00 175.35 175.11 1zea s TRP 47 N 1.75 3.22 -0.19 3.18 -0.00 -1.26 -0.29 118.94 125.36 1zea s TRP 47 Ca 0.05 1.31 0.20 0.00 -0.00 0.00 0.00 56.10 57.66 1zea s TRP 47 Cb -0.13 -3.35 -0.05 0.00 -0.00 0.00 0.00 33.47 29.94 1zea s TRP 47 CO -0.07 -0.98 0.97 0.52 -0.00 0.00 0.00 176.95 177.39 1zea h MET 48 N 7.52 0.00 0.00 5.86 2.86 -1.27 -3.44 114.93 126.46 1zea h MET 48 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1zea h MET 48 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1zea h MET 48 CO 0.91 0.13 0.00 0.41 1.06 0.00 0.00 176.91 179.42 1zea n GLY 49 N 1.27 0.84 3.71 8.32 0.00 -1.24 -0.71 105.19 117.39 1zea n GLY 49 Ca -0.04 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 1zea n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1zea s TRP 50 N -2.38 0.10 -0.04 1.61 1.48 -0.10 -1.82 118.94 117.78 1zea s TRP 50 Ca 0.00 -0.51 0.02 0.00 -1.06 0.00 0.00 56.10 54.55 1zea s TRP 50 Cb 0.00 0.43 0.01 0.00 -1.16 0.00 0.00 33.47 32.76 1zea s TRP 50 CO 0.00 -1.10 -0.07 -1.50 -4.06 0.00 0.00 176.95 170.21 1zea s ILE 51 N -3.97 0.72 -0.22 0.66 2.07 0.91 -0.20 121.20 121.18 1zea s ILE 51 Ca 0.17 -0.27 -0.29 0.00 -1.41 0.00 0.00 60.65 58.85 1zea s ILE 51 Cb -0.03 -0.69 -0.01 0.00 0.13 0.00 0.00 42.46 41.86 1zea s ILE 51 CO 0.08 0.25 1.29 0.21 -1.91 0.00 0.00 174.94 174.86 1zea s ASN 52 N 0.61 6.82 0.00 4.50 3.84 -0.40 -1.51 114.94 128.80 1zea s ASN 52 Ca -0.10 1.52 0.28 0.00 0.21 0.00 0.00 52.86 54.77 1zea s ASN 52 Cb -0.13 -2.54 1.30 0.00 -0.55 0.00 0.00 41.25 39.33 1zea s ASN 52 CO 0.01 -0.90 1.93 0.35 -2.79 0.00 0.00 177.10 175.70 1zea n THR 52 N 5.71 0.10 -0.11 -5.21 -2.24 -1.26 0.06 114.28 111.33 1zea n THR 52 Ca 0.14 0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.70 1zea n THR 52 Cb 0.45 -0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 1zea n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zea n TYR 53 N -1.39 0.51 0.12 4.78 9.36 -1.25 -4.50 117.16 124.78 1zea n TYR 53 Ca 0.10 0.19 0.09 0.00 3.32 0.00 0.00 57.90 61.60 1zea n TYR 53 Cb 0.27 -1.05 0.02 0.00 -0.63 0.00 0.00 39.34 37.95 1zea n TYR 53 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1zea h SER 54 N -0.77 0.00 0.00 2.98 4.64 -1.92 -3.48 113.55 115.00 1zea h SER 54 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1zea h SER 54 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1zea h SER 54 CO -0.26 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 1zea n GLY 55 N 1.20 0.78 3.69 -0.77 0.00 0.11 -5.02 105.19 105.18 1zea n GLY 55 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1zea n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zea s VAL 56 N -3.10 4.92 0.26 1.61 1.01 -1.21 -4.78 120.40 119.10 1zea s VAL 56 Ca 0.00 1.68 -0.08 0.00 0.00 0.00 0.00 61.98 63.58 1zea s VAL 56 Cb 0.00 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1zea s VAL 56 CO 0.00 0.11 0.56 -2.16 0.00 0.00 0.00 175.10 173.60 1zea s PRO 57 N 1.58 3.74 -0.10 2.72 0.04 -1.26 -1.28 135.00 140.44 1zea s PRO 57 Ca 0.41 0.19 -0.00 0.00 0.04 0.00 0.00 61.00 61.63 1zea s PRO 57 Cb -0.18 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.75 1zea s PRO 57 CO 0.17 0.27 -0.07 0.99 0.04 0.00 0.00 177.00 178.40 1zea s THR 58 N -1.93 0.94 -0.14 1.26 2.01 0.73 -4.99 115.64 113.52 1zea s THR 58 Ca 0.46 -0.24 -0.04 0.00 0.31 0.00 0.00 61.69 62.18 1zea s THR 58 Cb -0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 1zea s THR 58 CO 0.25 0.35 0.01 -0.31 -0.69 0.00 0.00 174.62 174.23 1zea s TYR 59 N 1.67 3.17 0.55 4.92 2.02 -1.26 -0.93 117.35 127.49 1zea s TYR 59 Ca 0.04 0.03 -0.20 0.00 -0.37 0.00 0.00 57.07 56.56 1zea s TYR 59 Cb -0.13 -1.93 -0.05 0.00 -0.40 0.00 0.00 41.96 39.46 1zea s TYR 59 CO -0.07 0.24 1.23 0.00 -1.57 0.00 0.00 175.55 175.38 1zea s ALA 60 N -0.16 2.70 0.35 3.71 0.00 0.12 -4.80 121.76 123.67 1zea s ALA 60 Ca 0.05 1.06 0.11 0.00 0.00 0.00 0.00 51.96 53.18 1zea s ALA 60 Cb -0.12 -3.46 0.89 0.00 0.00 0.00 0.00 23.12 20.43 1zea s ALA 60 CO 0.02 -1.09 1.79 -0.44 0.00 0.00 0.00 175.76 176.03 1zea h ASP 61 N 1.26 0.64 0.30 0.00 3.32 -1.95 0.12 116.42 120.11 1zea h ASP 61 Ca -0.50 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1zea h ASP 61 Cb 1.29 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1zea h ASP 61 CO 0.57 0.20 0.00 0.47 -1.72 0.00 0.00 179.24 178.76 1zea n ASP 62 N -4.70 0.00 -0.36 6.45 8.00 -1.26 -2.62 116.55 122.07 1zea n ASP 62 Ca 0.23 0.07 0.07 0.00 0.71 0.00 0.00 54.79 55.87 1zea n ASP 62 Cb 0.67 -0.29 0.12 0.00 -0.02 0.00 0.00 41.12 41.60 1zea n ASP 62 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1zea n PHE 63 N -1.29 0.00 -3.28 1.24 3.72 0.41 -4.99 117.46 113.28 1zea n PHE 63 Ca 0.07 -0.86 -0.41 0.00 -0.05 0.00 0.00 57.45 56.20 1zea n PHE 63 Cb 0.13 -0.15 -0.08 0.00 -0.94 0.00 0.00 39.48 38.44 1zea n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1zea s LYS 64 N -2.18 3.67 0.00 -1.08 1.02 -1.08 -4.23 119.74 115.86 1zea s LYS 64 Ca 0.27 -0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1zea s LYS 64 Cb 0.25 -3.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1zea s LYS 64 CO -0.01 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 1zea n GLY 65 N 4.78 0.85 0.02 -3.33 0.00 -1.26 -4.90 105.19 101.36 1zea n GLY 65 Ca -0.06 -0.23 0.16 0.00 0.00 0.00 0.00 46.02 45.89 1zea n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zea n ARG 66 N 0.00 0.84 -4.55 1.61 1.74 -1.26 -4.85 116.66 110.19 1zea n ARG 66 Ca 0.00 -0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.72 1zea n ARG 66 Cb 0.00 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.83 1zea n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1zea s PHE 67 N -2.19 2.79 -0.03 -1.55 0.40 -1.26 -4.32 117.98 111.81 1zea s PHE 67 Ca 0.41 -0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.62 1zea s PHE 67 Cb 0.21 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 42.20 1zea s PHE 67 CO 0.40 0.33 0.07 0.00 0.70 0.00 0.00 175.22 176.72 1zea s ALA 68 N -0.96 -0.07 -0.11 5.36 0.00 -0.27 -4.92 121.76 120.80 1zea s ALA 68 Ca 0.16 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1zea s ALA 68 Cb -0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1zea s ALA 68 CO 0.06 -0.11 0.00 -0.06 0.00 0.00 0.00 175.76 175.66 1zea s PHE 69 N 0.94 3.16 0.30 0.00 0.08 -1.26 -0.94 117.98 120.26 1zea s PHE 69 Ca -0.08 0.11 -0.01 0.00 0.12 0.00 0.00 56.93 57.08 1zea s PHE 69 Cb -0.10 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.49 1zea s PHE 69 CO -0.03 0.37 0.37 -1.54 -0.10 0.00 0.00 175.22 174.28 1zea s SER 70 N -0.57 0.87 0.09 1.36 1.04 -0.79 -4.83 113.70 110.86 1zea s SER 70 Ca 0.10 -1.48 -0.00 0.00 0.48 0.00 0.00 55.95 55.05 1zea s SER 70 Cb -0.12 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 1zea s SER 70 CO 0.02 -1.14 -0.02 -0.76 0.98 0.00 0.00 173.24 172.33 1zea s LEU 71 N -3.23 2.30 -0.38 2.42 1.43 -1.26 -0.80 118.68 119.16 1zea s LEU 71 Ca 0.34 -1.06 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1zea s LEU 71 Cb 0.02 0.14 0.15 0.00 0.03 0.00 0.00 46.19 46.53 1zea s LEU 71 CO 0.19 -0.60 0.30 -0.70 0.23 0.00 0.00 176.35 175.78 1zea s GLU 72 N -3.93 0.68 0.40 1.70 2.12 -0.23 -4.96 118.70 114.48 1zea s GLU 72 Ca 0.13 -1.44 0.08 0.00 0.36 0.00 0.00 54.97 54.11 1zea s GLU 72 Cb 0.07 -1.16 0.82 0.00 0.26 0.00 0.00 34.13 34.12 1zea s GLU 72 CO -0.05 -1.26 1.98 1.79 -0.54 0.00 0.00 175.26 177.18 1zea h THR 73 N 4.91 1.14 0.00 -1.70 1.35 -1.96 -1.52 112.91 115.13 1zea h THR 73 Ca 0.12 -0.48 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 1zea h THR 73 Cb 0.98 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1zea h THR 73 CO 0.27 0.17 -0.04 0.77 -0.25 0.00 0.00 175.52 176.43 1zea h SER 74 N 0.40 0.00 -0.36 5.36 4.64 -1.96 -0.39 113.55 121.24 1zea h SER 74 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1zea h SER 74 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1zea h SER 74 CO -0.00 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1zea n ALA 75 N -2.35 2.65 -4.24 5.18 0.00 -0.64 -4.97 120.51 116.15 1zea n ALA 75 Ca -0.03 -1.68 -0.34 0.00 0.00 0.00 0.00 53.44 51.39 1zea n ALA 75 Cb 0.13 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 1zea n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zea n SER 76 N 0.21 -1.41 -4.21 0.00 7.64 -0.16 -4.73 113.62 110.97 1zea n SER 76 Ca 0.18 -1.11 -0.28 0.00 1.01 0.00 0.00 58.87 58.67 1zea n SER 76 Cb 0.69 -2.36 -0.16 0.00 -1.01 0.00 0.00 64.21 61.37 1zea n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1zea s THR 77 N -3.67 1.67 -0.07 0.44 2.01 -0.82 -0.82 115.64 114.38 1zea s THR 77 Ca 0.43 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1zea s THR 77 Cb -0.24 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1zea s THR 77 CO 0.95 0.47 -0.05 0.00 -0.69 0.00 0.00 174.62 175.30 1zea s ALA 78 N -0.29 3.06 0.08 7.40 0.00 -0.01 -1.07 121.76 130.93 1zea s ALA 78 Ca 0.03 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.21 1zea s ALA 78 Cb -0.10 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1zea s ALA 78 CO 0.01 0.57 -0.22 0.71 0.00 0.00 0.00 175.76 176.83 1zea s TYR 79 N -0.81 2.44 -0.14 0.00 2.02 0.02 -0.59 117.35 120.29 1zea s TYR 79 Ca 0.12 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 1zea s TYR 79 Cb -0.11 -1.38 0.03 0.00 -0.40 0.00 0.00 41.96 40.10 1zea s TYR 79 CO 0.02 0.27 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.99 1zea s LEU 80 N -1.67 1.54 -0.09 -1.29 0.20 0.03 -1.89 118.68 115.50 1zea s LEU 80 Ca 0.15 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.52 1zea s LEU 80 Cb -0.10 -1.03 -0.02 0.00 -0.43 0.00 0.00 46.19 44.60 1zea s LEU 80 CO 0.06 -0.10 -0.13 -1.58 -0.29 0.00 0.00 176.35 174.30 1zea s GLN 81 N 1.58 2.91 0.41 1.98 0.74 -0.11 -0.30 119.66 126.87 1zea s GLN 81 Ca 0.04 -0.68 0.05 0.00 0.05 0.00 0.00 55.36 54.81 1zea s GLN 81 Cb -0.13 -2.50 -0.06 0.00 1.10 0.00 0.00 33.01 31.42 1zea s GLN 81 CO -0.09 0.44 0.03 0.42 -0.55 0.00 0.00 175.29 175.54 1zea s ILE 82 N -0.25 1.51 0.00 -2.34 1.01 -0.31 -1.12 121.20 119.70 1zea s ILE 82 Ca 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.66 1zea s ILE 82 Cb -0.13 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1zea s ILE 82 CO 0.03 0.00 0.00 -3.20 0.00 0.00 0.00 174.94 171.77 1zea n ASN 82 N -0.99 0.00 -4.63 3.58 4.05 -1.04 -1.58 115.26 114.65 1zea n ASN 82 Ca -0.07 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.56 1zea n ASN 82 Cb 0.67 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.70 1zea n ASN 82 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1zea n LEU 82 N -0.24 3.26 -4.41 1.20 7.99 0.09 -4.44 117.00 120.46 1zea n LEU 82 Ca 0.00 0.97 -0.26 0.00 -0.01 0.00 0.00 56.01 56.71 1zea n LEU 82 Cb 0.00 -1.40 -0.12 0.00 -0.11 0.00 0.00 43.42 41.80 1zea n LEU 82 CO 0.00 -1.43 -0.53 -0.54 -1.51 0.00 0.00 177.39 173.38 1zea s LYS 83 N -2.30 1.49 0.27 3.23 -0.14 -1.26 -0.01 119.74 121.02 1zea s LYS 83 Ca 0.67 -1.52 0.00 0.00 -1.36 0.00 0.00 55.97 53.76 1zea s LYS 83 Cb -0.50 -1.79 0.60 0.00 -1.68 0.00 0.00 37.83 34.47 1zea s LYS 83 CO 0.54 0.38 1.71 -0.91 -0.76 0.00 0.00 175.35 176.31 1zea h ASN 84 N 3.19 0.30 0.40 2.83 4.21 -1.96 0.15 115.58 124.70 1zea h ASN 84 Ca -0.46 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.19 1zea h ASN 84 Cb 1.21 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.52 1zea h ASN 84 CO 0.48 0.05 0.00 -0.62 -1.29 0.00 0.00 177.43 176.05 1zea n GLU 85 N -5.03 0.02 0.00 0.81 4.71 -1.26 -1.55 120.64 118.34 1zea n GLU 85 Ca 0.18 0.33 0.13 0.00 -0.01 0.00 0.00 57.16 57.80 1zea n GLU 85 Cb 0.54 -1.55 0.69 0.00 -1.01 0.00 0.00 31.44 30.11 1zea n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1zea n ASP 86 N -1.59 0.00 -4.65 1.62 8.00 0.53 -4.80 116.55 115.66 1zea n ASP 86 Ca 0.03 -0.14 -0.43 0.00 0.71 0.00 0.00 54.79 54.96 1zea n ASP 86 Cb 0.14 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 1zea n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1zea n THR 87 N -1.27 0.68 -3.82 -3.53 -1.04 -0.60 -4.85 114.28 99.86 1zea n THR 87 Ca 0.13 -0.21 0.03 0.00 -2.04 0.00 0.00 64.05 61.96 1zea n THR 87 Cb 0.21 -2.36 0.01 0.00 -1.82 0.00 0.00 70.33 66.36 1zea n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1zea s ALA 88 N 5.32 -2.46 -0.20 2.41 0.00 -0.44 -4.86 121.76 121.53 1zea s ALA 88 Ca 0.92 0.40 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 1zea s ALA 88 Cb -0.42 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1zea s ALA 88 CO 0.41 -1.11 0.09 0.99 0.00 0.00 0.00 175.76 176.14 1zea s THR 89 N -2.13 4.95 -0.15 0.00 2.01 -0.04 -0.72 115.64 119.57 1zea s THR 89 Ca 0.23 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 1zea s THR 89 Cb 0.03 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 1zea s THR 89 CO -0.03 0.43 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.00 1zea s TYR 90 N 0.58 3.08 0.02 4.92 1.51 0.33 0.18 117.35 127.97 1zea s TYR 90 Ca 0.05 -0.15 0.07 0.00 -1.01 0.00 0.00 57.07 56.02 1zea s TYR 90 Cb -0.13 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1zea s TYR 90 CO 0.01 0.08 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.26 1zea s PHE 91 N 0.17 2.49 0.16 2.71 0.08 0.18 -0.40 117.98 123.37 1zea s PHE 91 Ca -0.00 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 56.77 1zea s PHE 91 Cb -0.13 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 1zea s PHE 91 CO 0.02 0.16 0.24 0.00 -0.10 0.00 0.00 175.22 175.54 1zea s ALA 93 N -1.75 -1.13 0.30 0.00 0.00 -0.59 -0.51 121.76 118.08 1zea s ALA 93 Ca 0.33 1.35 -0.11 0.00 0.00 0.00 0.00 51.96 53.54 1zea s ALA 93 Cb -0.11 -0.79 -0.07 0.00 0.00 0.00 0.00 23.12 22.15 1zea s ALA 93 CO 0.27 -0.23 0.65 -0.98 0.00 0.00 0.00 175.76 175.47 1zea s ARG 94 N 0.46 3.83 -0.06 0.00 1.70 -0.66 -0.62 118.95 123.59 1zea s ARG 94 Ca -0.02 0.38 -0.02 0.00 -0.47 0.00 0.00 55.73 55.60 1zea s ARG 94 Cb -0.04 -2.54 0.04 0.00 -0.57 0.00 0.00 34.95 31.84 1zea s ARG 94 CO -0.02 0.19 0.13 0.50 -1.08 0.00 0.00 175.30 175.01 1zea s ARG 95 N -3.18 0.04 0.00 3.89 3.52 -0.45 -3.76 118.95 119.02 1zea s ARG 95 Ca 0.49 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.50 1zea s ARG 95 Cb -0.11 -0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.03 1zea s ARG 95 CO 0.23 -0.23 0.00 -1.13 -0.81 0.00 0.00 175.30 173.37 1zea n SER 96 N 4.65 0.00 -0.13 -2.12 3.41 -1.26 -3.56 113.62 114.61 1zea n SER 96 Ca -0.18 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.51 1zea n SER 96 Cb 0.51 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.57 1zea n SER 96 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1zea n TRP 100 N -0.97 0.08 -3.58 7.33 8.01 -1.26 -5.04 117.44 122.01 1zea n TRP 100 Ca 0.00 -0.86 0.02 0.00 -1.31 0.00 0.00 57.50 55.35 1zea n TRP 100 Cb 0.00 -0.13 -0.01 0.00 -2.01 0.00 0.00 31.31 29.16 1zea n TRP 100 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.69 178.20 1zea s TYR 100 N -2.37 -0.01 -0.96 -5.99 -0.85 -1.26 -5.08 117.35 100.83 1zea s TYR 100 Ca 0.25 -0.00 -0.14 0.00 -0.52 0.00 0.00 57.07 56.65 1zea s TYR 100 Cb 0.21 0.51 0.20 0.00 0.38 0.00 0.00 41.96 43.26 1zea s TYR 100 CO 0.03 -0.04 1.01 -0.06 -1.52 0.00 0.00 175.55 174.97 1zea s PHE 100 N -2.06 3.68 -0.29 -3.49 0.08 -1.26 -4.23 117.98 110.41 1zea s PHE 100 Ca 0.14 -2.01 0.20 0.00 0.12 0.00 0.00 56.93 55.38 1zea s PHE 100 Cb 0.05 -4.00 0.28 0.00 -0.57 0.00 0.00 43.02 38.78 1zea s PHE 100 CO -0.05 -1.15 1.56 0.38 -0.10 0.00 0.00 175.22 175.86 1zea h ASP 101 N 7.73 0.00 -3.24 1.36 2.03 -1.99 -3.44 116.42 118.88 1zea h ASP 101 Ca 0.16 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.96 1zea h ASP 101 Cb 0.98 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 39.12 1zea h ASP 101 CO 0.95 0.20 -0.79 -0.69 -1.03 0.00 0.00 179.24 177.88 1zea s VAL 102 N -3.14 0.85 0.04 4.15 1.01 -1.26 -5.08 120.40 116.97 1zea s VAL 102 Ca 0.05 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1zea s VAL 102 Cb 0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1zea s VAL 102 CO 0.69 0.33 -0.05 0.26 0.00 0.00 0.00 175.10 176.34 1zea s TRP 103 N 1.62 2.91 1.05 5.22 0.52 -1.26 -1.66 118.94 127.34 1zea s TRP 103 Ca 0.02 -0.04 -0.16 0.00 0.02 0.00 0.00 56.10 55.94 1zea s TRP 103 Cb -0.13 -1.57 0.22 0.00 -1.15 0.00 0.00 33.47 30.84 1zea s TRP 103 CO -0.06 0.42 1.17 0.20 0.02 0.00 0.00 176.95 178.70 1zea s GLY 104 N -1.77 1.63 0.00 0.98 0.00 0.34 -4.54 107.32 103.95 1zea s GLY 104 Ca 0.20 -0.87 0.25 0.00 0.00 0.00 0.00 44.72 44.30 1zea s GLY 104 CO 0.11 -0.12 1.81 -1.30 0.00 0.00 0.00 173.10 173.60 1zea n THR 105 N -4.21 0.26 0.00 0.90 -2.24 -1.10 -4.82 114.28 103.08 1zea n THR 105 Ca 0.11 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1zea n THR 105 Cb 0.59 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1zea n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zea n GLY 106 N 1.08 -2.71 2.91 3.38 0.00 -1.26 -4.97 105.19 103.63 1zea n GLY 106 Ca 0.07 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 1zea n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zea s THR 107 N -2.57 1.07 -0.10 2.61 2.01 0.47 -4.82 115.64 114.30 1zea s THR 107 Ca 0.00 -0.31 -0.22 0.00 0.31 0.00 0.00 61.69 61.47 1zea s THR 107 Cb 0.00 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1zea s THR 107 CO 0.00 0.38 0.64 -0.89 -0.69 0.00 0.00 174.62 174.05 1zea s THR 108 N 1.69 5.07 -0.17 -0.82 2.01 -1.26 -0.52 115.64 121.65 1zea s THR 108 Ca 0.05 1.29 -0.01 0.00 0.31 0.00 0.00 61.69 63.33 1zea s THR 108 Cb -0.13 -3.97 -0.00 0.00 0.01 0.00 0.00 72.50 68.41 1zea s THR 108 CO -0.08 0.24 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.27 1zea s VAL 109 N 0.95 2.83 -0.12 3.82 1.01 0.11 -1.12 120.40 127.88 1zea s VAL 109 Ca 0.33 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1zea s VAL 109 Cb -0.17 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1zea s VAL 109 CO 0.15 0.50 -0.12 -0.89 0.00 0.00 0.00 175.10 174.73 1zea s THR 110 N 0.97 3.14 -0.18 3.92 2.01 -0.23 -1.33 115.64 123.93 1zea s THR 110 Ca -0.02 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1zea s THR 110 Cb -0.15 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 70.09 1zea s THR 110 CO -0.02 0.53 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.63 1zea s VAL 111 N 0.18 1.66 -0.07 3.82 1.01 -1.26 -0.88 120.40 124.87 1zea s VAL 111 Ca -0.07 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1zea s VAL 111 Cb -0.15 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1zea s VAL 111 CO 0.05 0.28 0.36 -0.55 0.00 0.00 0.00 175.10 175.24 1zea s SER 112 N 1.41 -0.30 0.00 3.32 0.15 -0.36 -4.55 113.70 113.38 1zea s SER 112 Ca 0.01 0.38 0.21 0.00 0.70 0.00 0.00 55.95 57.26 1zea s SER 112 Cb -0.15 0.50 -0.10 0.00 -1.71 0.00 0.00 66.02 64.57 1zea s SER 112 CO -0.09 -0.33 0.98 -1.54 1.20 0.00 0.00 173.24 173.45 1zea n SER 113 N 1.87 1.57 -4.79 5.45 3.41 -1.26 -4.17 113.62 115.70 1zea n SER 113 Ca -0.18 -1.28 -0.32 0.00 -0.26 0.00 0.00 58.87 56.83 1zea n SER 113 Cb 0.57 0.69 0.06 0.00 -0.26 0.00 0.00 64.21 65.27 1zea n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zea s ALA 114 N -2.61 2.47 0.02 7.33 0.00 -1.26 -4.97 121.76 122.74 1zea s ALA 114 Ca 0.14 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 1zea s ALA 114 Cb 0.17 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 1zea s ALA 114 CO 0.67 -1.41 1.40 0.21 0.00 0.00 0.00 175.76 176.63 1zea s LYS 115 N -4.69 4.29 0.25 0.00 2.20 -1.26 -4.98 119.74 115.54 1zea s LYS 115 Ca 0.62 1.99 -0.30 0.00 -0.36 0.00 0.00 55.97 57.92 1zea s LYS 115 Cb -0.17 -3.54 -0.09 0.00 -1.51 0.00 0.00 37.83 32.53 1zea s LYS 115 CO 0.51 -0.56 1.16 0.95 -0.36 0.00 0.00 175.35 177.05 1zea s THR 116 N 2.25 3.42 -0.05 3.43 -4.23 -1.26 -4.74 115.64 114.46 1zea s THR 116 Ca 0.64 1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 62.48 1zea s THR 116 Cb -0.32 -3.85 0.03 0.00 1.34 0.00 0.00 72.50 69.69 1zea s THR 116 CO 0.27 0.28 0.01 -0.89 -0.54 0.00 0.00 174.62 173.75 1zea s THR 117 N -0.75 0.25 0.74 3.99 2.01 0.76 -4.95 115.64 117.69 1zea s THR 117 Ca 0.48 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 62.52 1zea s THR 117 Cb -0.33 -0.40 0.04 0.00 0.01 0.00 0.00 72.50 71.82 1zea s THR 117 CO 0.41 0.21 1.08 -2.16 -0.69 0.00 0.00 174.62 173.47 1zea s PRO 118 N 1.69 2.52 0.29 4.92 0.04 -1.26 -1.09 135.00 142.11 1zea s PRO 118 Ca 0.00 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 1zea s PRO 118 Cb -0.13 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1zea s PRO 118 CO -0.03 -1.39 1.04 -1.25 0.04 0.00 0.00 177.00 175.40 1zea s PRO 119 N -5.02 4.64 -0.16 0.56 0.04 -1.26 -4.34 135.00 129.47 1zea s PRO 119 Ca 0.60 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 63.13 1zea s PRO 119 Cb -0.15 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1zea s PRO 119 CO 0.55 0.26 0.42 -1.12 0.04 0.00 0.00 177.00 177.15 1zea s SER 120 N -1.08 6.56 -0.17 6.66 0.01 0.09 -4.94 113.70 120.82 1zea s SER 120 Ca 0.45 0.66 -0.00 0.00 1.31 0.00 0.00 55.95 58.37 1zea s SER 120 Cb -0.28 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1zea s SER 120 CO 0.36 -0.01 -0.15 -0.69 0.41 0.00 0.00 173.24 173.16 1zea s VAL 121 N 0.86 2.60 -0.11 3.43 1.01 -1.26 -0.95 120.40 125.97 1zea s VAL 121 Ca 0.22 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1zea s VAL 121 Cb -0.15 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1zea s VAL 121 CO 0.08 0.51 -0.14 -0.31 0.00 0.00 0.00 175.10 175.24 1zea s TYR 122 N 1.06 2.77 0.27 5.22 2.02 0.13 -4.96 117.35 123.85 1zea s TYR 122 Ca -0.01 -0.55 -0.29 0.00 -0.37 0.00 0.00 57.07 55.85 1zea s TYR 122 Cb -0.15 -1.79 -0.09 0.00 -0.40 0.00 0.00 41.96 39.53 1zea s TYR 122 CO -0.04 -0.13 1.09 -1.25 -1.57 0.00 0.00 175.55 173.66 1zea s PRO 123 N 0.09 4.64 -0.40 -1.71 0.04 -1.26 -0.29 135.00 136.12 1zea s PRO 123 Ca -0.06 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1zea s PRO 123 Cb -0.15 -3.20 0.11 0.00 0.04 0.00 0.00 34.50 31.30 1zea s PRO 123 CO 0.05 0.21 0.17 -0.51 0.04 0.00 0.00 177.00 176.96 1zea s LEU 124 N -1.36 5.11 0.07 -3.56 1.43 -0.04 -4.86 118.68 115.47 1zea s LEU 124 Ca 0.45 -2.11 0.08 0.00 -1.03 0.00 0.00 54.13 51.52 1zea s LEU 124 Cb -0.32 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1zea s LEU 124 CO 0.40 -0.49 -0.18 0.00 0.23 0.00 0.00 176.35 176.31 1zea s ALA 125 N 1.02 2.62 0.00 4.21 0.00 -1.26 -1.98 121.76 126.37 1zea s ALA 125 Ca 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1zea s ALA 125 Cb -0.22 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1zea s ALA 125 CO -0.05 0.58 0.00 -0.35 0.00 0.00 0.00 175.76 175.94 1zea n PRO 126 N 1.25 0.00 -0.21 0.00 -0.04 -1.26 -4.90 135.00 129.84 1zea n PRO 126 Ca -0.16 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.46 1zea n PRO 126 Cb 0.52 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 34.24 1zea n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1zea n SER 134 N 0.00 0.02 -4.19 3.54 2.88 -1.26 -4.40 113.62 110.21 1zea n SER 134 Ca 0.00 0.38 -0.22 0.00 -1.33 0.00 0.00 58.87 57.70 1zea n SER 134 Cb 0.00 -0.19 -0.13 0.00 -0.75 0.00 0.00 64.21 63.14 1zea n SER 134 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1zea s MET 135 N -3.80 1.07 -0.03 -1.46 1.00 -1.26 -0.59 119.30 114.23 1zea s MET 135 Ca -0.02 -0.87 0.04 0.00 0.00 0.00 0.00 55.69 54.85 1zea s MET 135 Cb 0.09 -1.13 -0.01 0.00 0.00 0.00 0.00 34.83 33.79 1zea s MET 135 CO 0.29 0.28 -0.16 0.08 0.00 0.00 0.00 175.02 175.51 1zea s VAL 136 N -0.91 1.29 -0.10 -6.03 1.01 0.04 -4.66 120.40 111.05 1zea s VAL 136 Ca 0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1zea s VAL 136 Cb -0.09 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1zea s VAL 136 CO 0.02 0.37 -0.04 -0.89 0.00 0.00 0.00 175.10 174.56 1zea s THR 137 N -0.16 3.93 0.35 3.92 2.01 -1.26 -1.34 115.64 123.09 1zea s THR 137 Ca 0.01 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.67 1zea s THR 137 Cb -0.09 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 1zea s THR 137 CO 0.01 0.57 0.08 -0.76 -0.69 0.00 0.00 174.62 173.83 1zea s LEU 138 N -0.48 2.08 0.00 4.42 2.01 0.43 -4.70 118.68 122.43 1zea s LEU 138 Ca 0.08 -1.49 -0.21 0.00 0.01 0.00 0.00 54.13 52.52 1zea s LEU 138 Cb -0.12 -0.27 0.07 0.00 0.01 0.00 0.00 46.19 45.88 1zea s LEU 138 CO 0.02 -0.73 0.99 0.61 1.01 0.00 0.00 176.35 178.25 1zea n GLY 139 N -0.76 0.61 2.91 -3.19 0.00 -0.84 -0.56 105.19 103.36 1zea n GLY 139 Ca -0.04 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 1zea n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zea s LEU 141 N 0.06 3.30 -0.18 0.00 2.96 0.60 -1.38 118.68 124.04 1zea s LEU 141 Ca -0.00 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1zea s LEU 141 Cb -0.03 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.87 1zea s LEU 141 CO -0.00 0.15 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.29 1zea s VAL 142 N 0.49 2.14 0.15 1.68 1.01 0.87 0.17 120.40 126.92 1zea s VAL 142 Ca -0.02 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1zea s VAL 142 Cb -0.14 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1zea s VAL 142 CO 0.02 0.53 -0.04 -0.54 0.00 0.00 0.00 175.10 175.07 1zea s LYS 143 N 1.30 1.05 -1.42 2.72 1.02 -0.12 -0.77 119.74 123.51 1zea s LYS 143 Ca 0.05 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.57 1zea s LYS 143 Cb -0.13 -0.38 0.00 0.00 -0.52 0.00 0.00 37.83 36.80 1zea s LYS 143 CO -0.12 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1zea n GLY 144 N -0.20 0.03 3.79 -3.33 0.00 -0.60 -0.73 105.19 104.14 1zea n GLY 144 Ca -0.09 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1zea n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1zea s TYR 145 N -2.76 2.95 -0.28 1.61 1.13 -1.22 -4.64 117.35 114.14 1zea s TYR 145 Ca 0.00 -0.20 -0.24 0.00 -1.41 0.00 0.00 57.07 55.22 1zea s TYR 145 Cb 0.00 -1.48 0.11 0.00 -1.10 0.00 0.00 41.96 39.50 1zea s TYR 145 CO 0.00 0.45 0.97 0.12 -2.51 0.00 0.00 175.55 174.58 1zea s PHE 146 N -2.24 -0.54 0.25 -3.49 2.19 -0.25 -2.51 117.98 111.39 1zea s PHE 146 Ca 0.35 1.30 0.00 0.00 0.33 0.00 0.00 56.93 58.91 1zea s PHE 146 Cb -0.07 0.35 0.05 0.00 -1.31 0.00 0.00 43.02 42.05 1zea s PHE 146 CO 0.24 -0.26 0.35 -0.35 1.83 0.00 0.00 175.22 177.03 1zea n PRO 147 N 2.42 0.38 -1.59 10.12 -0.04 -1.26 -0.17 135.00 144.87 1zea n PRO 147 Ca -0.13 -0.95 -0.31 0.00 -0.04 0.00 0.00 63.50 62.07 1zea n PRO 147 Cb 0.56 -0.23 0.05 0.00 -0.04 0.00 0.00 33.50 33.84 1zea n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1zea s GLU 148 N -3.31 2.91 0.37 0.54 0.41 -1.26 -4.75 118.70 113.60 1zea s GLU 148 Ca 0.23 0.92 0.07 0.00 -0.41 0.00 0.00 54.97 55.78 1zea s GLU 148 Cb -0.01 -1.99 -0.01 0.00 -1.78 0.00 0.00 34.13 30.33 1zea s GLU 148 CO 0.15 -1.11 0.41 -1.25 -0.49 0.00 0.00 175.26 172.97 1zea s PRO 149 N -5.06 2.79 0.04 0.39 0.04 -1.26 -4.98 135.00 126.96 1zea s PRO 149 Ca 0.58 -1.27 0.09 0.00 0.04 0.00 0.00 61.00 60.44 1zea s PRO 149 Cb -0.14 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 1zea s PRO 149 CO 0.55 -0.05 -0.25 0.08 0.04 0.00 0.00 177.00 177.37 1zea s VAL 150 N -2.32 2.22 -0.10 -0.36 1.01 -1.26 -4.39 120.40 115.20 1zea s VAL 150 Ca 0.46 -1.35 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1zea s VAL 150 Cb -0.07 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1zea s VAL 150 CO 0.29 0.37 -0.16 -0.89 0.00 0.00 0.00 175.10 174.72 1zea s THR 151 N -0.81 2.85 -0.08 3.92 2.01 0.44 -4.95 115.64 119.02 1zea s THR 151 Ca 0.12 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.41 1zea s THR 151 Cb -0.10 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 1zea s THR 151 CO 0.02 0.55 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.58 1zea s VAL 152 N 0.07 2.19 0.25 3.82 1.01 -1.26 -0.51 120.40 125.97 1zea s VAL 152 Ca -0.06 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1zea s VAL 152 Cb -0.15 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1zea s VAL 152 CO 0.05 0.56 0.02 0.42 0.00 0.00 0.00 175.10 176.15 1zea s THR 153 N 0.04 0.96 -0.10 3.92 -4.23 -0.25 -4.97 115.64 111.02 1zea s THR 153 Ca -0.09 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1zea s THR 153 Cb -0.15 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.25 1zea s THR 153 CO 0.06 -0.23 -0.19 0.26 -0.54 0.00 0.00 174.62 173.97 1zea s TRP 154 N -3.47 2.20 -1.42 3.99 0.52 -1.26 -0.43 118.94 119.07 1zea s TRP 154 Ca 0.31 -0.93 -0.06 0.00 0.02 0.00 0.00 56.10 55.43 1zea s TRP 154 Cb 0.06 -1.51 0.04 0.00 -1.15 0.00 0.00 33.47 30.91 1zea s TRP 154 CO 0.10 -0.41 0.79 0.09 0.02 0.00 0.00 176.95 177.54 1zea n ASN 155 N 3.75 -2.67 -2.12 2.95 3.02 0.11 -1.31 115.26 118.99 1zea n ASN 155 Ca -0.20 -0.83 -0.18 0.00 -0.03 0.00 0.00 54.58 53.34 1zea n ASN 155 Cb 0.52 -3.85 -0.03 0.00 -0.61 0.00 0.00 39.78 35.81 1zea n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1zea n SER 156 N -2.94 -5.02 0.00 6.41 7.64 -1.26 -2.10 113.62 116.34 1zea n SER 156 Ca -0.15 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1zea n SER 156 Cb 0.61 -4.30 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 1zea n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zea n GLY 157 N -0.74 0.59 0.08 0.23 0.00 -0.42 -4.94 105.19 99.99 1zea n GLY 157 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1zea n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1zea n SER 158 N 0.00 0.56 -4.21 1.61 3.41 -0.89 -4.27 113.62 109.83 1zea n SER 158 Ca 0.00 0.58 -0.39 0.00 -0.26 0.00 0.00 58.87 58.80 1zea n SER 158 Cb 0.00 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.12 1zea n SER 158 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1zea s LEU 159 N -4.12 5.16 -0.01 1.04 2.96 -0.94 -4.88 118.68 117.90 1zea s LEU 159 Ca 0.09 -1.70 0.01 0.00 -0.22 0.00 0.00 54.13 52.31 1zea s LEU 159 Cb 0.12 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1zea s LEU 159 CO 0.50 -0.54 0.01 -1.54 -1.32 0.00 0.00 176.35 173.46 1zea n SER 160 N 4.80 4.69 -4.81 3.68 3.41 -1.26 -4.14 113.62 119.99 1zea n SER 160 Ca -0.08 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.20 1zea n SER 160 Cb 0.42 0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 65.08 1zea n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1zea s SER 161 N -2.79 6.25 -1.83 4.04 0.01 -1.26 -3.68 113.70 114.44 1zea s SER 161 Ca -0.01 1.79 0.00 0.00 1.31 0.00 0.00 55.95 59.04 1zea s SER 161 Cb 0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1zea s SER 161 CO 0.05 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.47 1zea n GLY 162 N -0.84 0.79 3.79 3.44 0.00 -1.26 -4.61 105.19 106.49 1zea n GLY 162 Ca 0.08 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1zea n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zea s VAL 163 N -2.82 4.93 -0.19 1.61 1.01 -1.24 -1.44 120.40 122.27 1zea s VAL 163 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1zea s VAL 163 Cb 0.00 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.31 1zea s VAL 163 CO 0.00 0.59 0.01 -1.00 0.00 0.00 0.00 175.10 174.71 1zea s HIS 164 N -0.98 1.24 -0.20 5.22 3.76 -0.20 -4.99 115.29 119.15 1zea s HIS 164 Ca 0.15 -0.95 -0.04 0.00 -0.15 0.00 0.00 55.06 54.07 1zea s HIS 164 Cb -0.12 -1.11 -0.02 0.00 1.11 0.00 0.00 32.58 32.45 1zea s HIS 164 CO 0.04 -0.61 -0.03 0.99 -0.85 0.00 0.00 174.74 174.28 1zea s THR 165 N 1.78 3.65 0.18 1.30 2.01 -1.26 -0.64 115.64 122.66 1zea s THR 165 Ca -0.01 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.41 1zea s THR 165 Cb -0.17 -2.64 -0.08 0.00 0.01 0.00 0.00 72.50 69.62 1zea s THR 165 CO -0.07 0.43 0.63 -0.36 -0.69 0.00 0.00 174.62 174.56 1zea s PHE 166 N 1.13 3.63 0.48 4.92 0.40 0.10 -5.01 117.98 123.63 1zea s PHE 166 Ca 0.02 1.22 -0.24 0.00 -0.60 0.00 0.00 56.93 57.33 1zea s PHE 166 Cb -0.15 -2.49 -0.07 0.00 0.51 0.00 0.00 43.02 40.82 1zea s PHE 166 CO 0.00 0.38 1.37 -0.35 0.70 0.00 0.00 175.22 177.32 1zea n PRO 167 N 0.77 1.96 -2.20 0.24 -0.04 -1.26 -4.34 135.00 130.13 1zea n PRO 167 Ca -0.04 0.71 -0.34 0.00 -0.04 0.00 0.00 63.50 63.78 1zea n PRO 167 Cb 0.51 -2.55 0.01 0.00 -0.04 0.00 0.00 33.50 31.42 1zea n PRO 167 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zea s ALA 168 N -1.24 2.68 -0.09 0.55 0.00 -1.26 -4.82 121.76 117.59 1zea s ALA 168 Ca 0.65 0.73 0.01 0.00 0.00 0.00 0.00 51.96 53.35 1zea s ALA 168 Cb -0.45 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.36 1zea s ALA 168 CO 0.54 -0.80 -0.11 0.08 0.00 0.00 0.00 175.76 175.48 1zea s VAL 169 N -1.93 1.12 -0.10 0.00 1.01 -0.61 -4.95 120.40 114.93 1zea s VAL 169 Ca 0.71 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 1zea s VAL 169 Cb -0.22 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1zea s VAL 169 CO 0.29 0.36 0.46 -0.22 0.00 0.00 0.00 175.10 175.99 1zea s LEU 170 N 1.06 4.30 0.00 3.92 2.96 -1.26 -1.35 118.68 128.31 1zea s LEU 170 Ca -0.07 0.82 0.02 0.00 -0.22 0.00 0.00 54.13 54.69 1zea s LEU 170 Cb -0.15 -2.67 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 1zea s LEU 170 CO -0.01 0.05 0.10 0.00 -1.32 0.00 0.00 176.35 175.17 1zea n GLN 171 N 3.42 0.15 -0.31 1.98 6.02 -1.06 -4.94 117.38 122.64 1zea n GLN 171 Ca -0.08 -1.11 0.19 0.00 -0.01 0.00 0.00 57.00 55.99 1zea n GLN 171 Cb 0.52 0.92 0.46 0.00 1.02 0.00 0.00 30.24 33.16 1zea n GLN 171 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1zea h SER 172 N 0.69 0.53 -0.09 1.08 0.02 -2.03 0.57 113.55 114.32 1zea h SER 172 Ca -0.08 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1zea h SER 172 Cb 0.41 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1zea h SER 172 CO 0.12 0.15 0.00 -0.90 -1.14 0.00 0.00 176.83 175.06 1zea n ASP 173 N -4.64 0.65 -0.20 3.07 5.68 -1.26 -5.02 116.55 114.84 1zea n ASP 173 Ca 0.23 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 1zea n ASP 173 Cb 0.75 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1zea n ASP 173 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1zea n LEU 174 N -0.18 0.00 -4.78 -2.12 4.77 0.20 -3.66 117.00 111.23 1zea n LEU 174 Ca 0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 1zea n LEU 174 Cb 0.12 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1zea n LEU 174 CO 0.02 -0.48 1.09 -0.31 -1.33 0.00 0.00 177.39 176.39 1zea s TYR 175 N 0.00 2.73 -0.03 -1.77 2.02 -1.04 -2.56 117.35 116.70 1zea s TYR 175 Ca 0.00 1.24 0.01 0.00 -0.37 0.00 0.00 57.07 57.96 1zea s TYR 175 Cb 0.00 -3.92 0.01 0.00 -0.40 0.00 0.00 41.96 37.66 1zea s TYR 175 CO 0.00 -2.64 -0.04 0.99 -1.57 0.00 0.00 175.55 172.28 1zea s THR 176 N -1.13 0.47 0.15 -0.71 2.01 -0.46 -1.56 115.64 114.41 1zea s THR 176 Ca 0.52 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.31 1zea s THR 176 Cb -0.44 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1zea s THR 176 CO 0.60 0.18 0.20 -1.48 -0.69 0.00 0.00 174.62 173.43 1zea s LEU 177 N 0.55 1.27 0.09 4.42 0.05 0.05 -1.58 118.68 123.52 1zea s LEU 177 Ca -0.07 -0.98 -0.05 0.00 0.05 0.00 0.00 54.13 53.07 1zea s LEU 177 Cb -0.10 0.87 -0.02 0.00 -2.05 0.00 0.00 46.19 44.89 1zea s LEU 177 CO -0.00 -0.83 0.11 -0.94 -0.55 0.00 0.00 176.35 174.14 1zea s SER 178 N -2.99 0.26 -0.08 1.48 1.04 -1.26 -0.09 113.70 112.06 1zea s SER 178 Ca 0.19 -0.84 -0.06 0.00 0.48 0.00 0.00 55.95 55.72 1zea s SER 178 Cb 0.05 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1zea s SER 178 CO 0.00 -0.70 0.20 -0.55 0.98 0.00 0.00 173.24 173.18 1zea s SER 179 N -2.91 -0.21 0.16 7.02 0.15 -0.48 -0.72 113.70 116.72 1zea s SER 179 Ca 0.08 0.41 0.10 0.00 0.70 0.00 0.00 55.95 57.24 1zea s SER 179 Cb 0.06 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 1zea s SER 179 CO -0.09 -0.09 -0.19 -0.94 1.20 0.00 0.00 173.24 173.13 1zea s SER 180 N 0.42 3.77 0.00 5.45 1.04 0.18 -0.83 113.70 123.73 1zea s SER 180 Ca -0.03 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.73 1zea s SER 180 Cb -0.04 -0.46 -0.01 0.00 0.10 0.00 0.00 66.02 65.61 1zea s SER 180 CO -0.02 0.14 -0.04 0.54 0.98 0.00 0.00 173.24 174.84 1zea s VAL 181 N -1.46 0.31 -0.10 5.02 0.11 0.27 -1.03 120.40 123.52 1zea s VAL 181 Ca 0.20 -0.28 0.03 0.00 -2.93 0.00 0.00 61.98 59.00 1zea s VAL 181 Cb -0.09 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1zea s VAL 181 CO 0.11 0.01 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.79 1zea s THR 182 N -0.27 1.84 0.15 5.04 2.01 -0.52 -0.43 115.64 123.46 1zea s THR 182 Ca -0.00 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1zea s THR 182 Cb -0.03 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1zea s THR 182 CO -0.00 0.51 -0.01 0.68 -0.69 0.00 0.00 174.62 175.11 1zea s VAL 183 N 0.58 0.67 0.27 3.82 -7.23 -0.45 -4.68 120.40 113.38 1zea s VAL 183 Ca -0.14 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 1zea s VAL 183 Cb -0.17 -2.02 -0.12 0.00 0.56 0.00 0.00 36.38 34.63 1zea s VAL 183 CO 0.04 -0.57 1.50 -2.65 -0.31 0.00 0.00 175.10 173.12 1zea n PRO 184 N -0.19 2.38 0.10 4.82 -0.02 -1.26 -0.78 135.00 140.05 1zea n PRO 184 Ca -0.08 0.85 0.11 0.00 -2.02 0.00 0.00 63.50 62.36 1zea n PRO 184 Cb 0.63 -2.56 0.60 0.00 -0.02 0.00 0.00 33.50 32.14 1zea n PRO 184 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1zea h SER 185 N 4.43 0.13 0.48 2.55 0.02 -1.11 0.32 113.55 120.37 1zea h SER 185 Ca -0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1zea h SER 185 Cb 1.25 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1zea h SER 185 CO 0.77 0.09 0.00 -1.54 -1.14 0.00 0.00 176.83 175.01 1zea n SER 186 N -4.48 0.00 -0.82 3.07 3.41 -1.26 -3.16 113.62 110.37 1zea n SER 186 Ca 0.03 0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.82 1zea n SER 186 Cb 0.25 -0.33 0.12 0.00 -0.26 0.00 0.00 64.21 63.99 1zea n SER 186 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1zea n THR 187 N -1.33 0.25 -4.21 6.66 -2.24 0.10 -4.77 114.28 108.74 1zea n THR 187 Ca 0.09 -0.63 -0.18 0.00 -2.27 0.00 0.00 64.05 61.07 1zea n THR 187 Cb 0.19 1.16 -0.15 0.00 -2.10 0.00 0.00 70.33 69.43 1zea n THR 187 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1zea s TRP 188 N -1.41 0.66 -2.02 4.78 -0.00 -1.19 -0.26 118.94 119.49 1zea s TRP 188 Ca 0.26 -0.15 0.15 0.00 -0.00 0.00 0.00 56.10 56.37 1zea s TRP 188 Cb 0.17 -0.50 0.87 0.00 -0.00 0.00 0.00 33.47 34.01 1zea s TRP 188 CO 0.24 -0.08 1.57 -0.35 -0.00 0.00 0.00 176.95 178.32 1zea n PRO 189 N 3.38 1.07 -0.25 5.86 -0.04 -1.26 -4.94 135.00 138.82 1zea n PRO 189 Ca -0.18 -0.11 0.04 0.00 -0.04 0.00 0.00 63.50 63.20 1zea n PRO 189 Cb 0.55 -1.25 0.27 0.00 -0.04 0.00 0.00 33.50 33.03 1zea n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1zea h SER 190 N 0.22 0.84 -3.71 3.54 4.64 -1.86 -3.33 113.55 113.89 1zea h SER 190 Ca 0.00 -0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.63 1zea h SER 190 Cb 0.05 -0.18 -0.33 0.00 -0.31 0.00 0.00 62.40 61.62 1zea h SER 190 CO 0.00 0.55 -0.67 -1.10 -0.87 0.00 0.00 176.83 174.74 1zea s GLN 191 N -5.83 2.32 0.60 4.77 -0.21 0.64 -5.08 119.66 116.86 1zea s GLN 191 Ca -0.11 -1.39 -0.18 0.00 0.02 0.00 0.00 55.36 53.70 1zea s GLN 191 Cb 0.19 -3.27 -0.05 0.00 1.00 0.00 0.00 33.01 30.88 1zea s GLN 191 CO 0.79 -0.72 0.95 0.25 -2.12 0.00 0.00 175.29 174.43 1zea n THR 192 N 4.61 3.66 -3.84 -0.19 -2.24 -1.25 -4.54 114.28 110.48 1zea n THR 192 Ca -0.10 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 60.92 1zea n THR 192 Cb 0.43 -1.13 -0.17 0.00 -2.10 0.00 0.00 70.33 67.36 1zea n THR 192 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1zea s VAL 193 N -1.52 0.75 -0.05 2.28 1.01 -1.26 -4.97 120.40 116.64 1zea s VAL 193 Ca 0.76 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.60 1zea s VAL 193 Cb -0.42 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1zea s VAL 193 CO 0.47 0.27 -0.14 -0.89 0.00 0.00 0.00 175.10 174.82 1zea s THR 194 N 1.81 1.18 -0.01 3.92 2.01 -1.26 -0.78 115.64 122.51 1zea s THR 194 Ca 0.04 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 1zea s THR 194 Cb -0.13 -1.04 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 1zea s THR 194 CO -0.07 0.35 0.33 0.00 -0.69 0.00 0.00 174.62 174.54 1zea s ASN 196 N -1.28 3.63 -0.31 0.00 -0.87 0.42 -1.00 114.94 115.54 1zea s ASN 196 Ca 0.24 -0.57 -0.03 0.00 -1.57 0.00 0.00 52.86 50.92 1zea s ASN 196 Cb -0.15 -1.58 0.04 0.00 -0.02 0.00 0.00 41.25 39.54 1zea s ASN 196 CO 0.13 -0.02 0.03 -0.69 -2.57 0.00 0.00 177.10 173.98 1zea s VAL 197 N 1.36 3.28 -0.15 1.60 1.01 0.85 -1.09 120.40 127.25 1zea s VAL 197 Ca 0.05 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 1zea s VAL 197 Cb -0.14 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1zea s VAL 197 CO -0.09 -0.11 0.19 0.00 0.00 0.00 0.00 175.10 175.09 1zea s ALA 198 N 1.31 3.72 -0.45 5.51 0.00 0.33 -1.18 121.76 131.01 1zea s ALA 198 Ca -0.04 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1zea s ALA 198 Cb -0.19 -2.18 0.14 0.00 0.00 0.00 0.00 23.12 20.89 1zea s ALA 198 CO 0.00 0.30 0.26 -1.58 0.00 0.00 0.00 175.76 174.74 1zea s HIS 199 N -0.11 1.90 0.30 0.00 2.46 0.98 -0.42 115.29 120.40 1zea s HIS 199 Ca 0.13 -2.40 0.05 0.00 0.47 0.00 0.00 55.06 53.31 1zea s HIS 199 Cb -0.12 -1.77 0.74 0.00 -0.13 0.00 0.00 32.58 31.30 1zea s HIS 199 CO 0.02 -0.77 1.76 -1.35 -2.47 0.00 0.00 174.74 171.93 1zea h PRO 200 N 6.57 0.67 -0.76 2.88 0.11 -1.78 -1.90 132.00 137.78 1zea h PRO 200 Ca 0.03 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.21 1zea h PRO 200 Cb 0.92 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 31.80 1zea h PRO 200 CO 0.47 0.44 0.39 0.00 -0.21 0.00 0.00 178.00 179.09 1zea h ALA 201 N 1.66 1.08 -0.49 -0.75 0.00 -1.91 -0.87 119.26 117.98 1zea h ALA 201 Ca 0.58 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1zea h ALA 201 Cb 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1zea h ALA 201 CO -0.41 -0.04 0.00 -1.13 0.00 0.00 0.00 179.25 177.67 1zea n SER 202 N -4.86 3.14 -3.92 0.00 3.41 -0.78 -4.93 113.62 105.69 1zea n SER 202 Ca 0.13 -1.96 -0.30 0.00 -0.26 0.00 0.00 58.87 56.47 1zea n SER 202 Cb 0.32 -0.32 0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1zea n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1zea n SER 203 N 1.24 -4.87 -4.19 4.04 7.64 -0.33 -4.96 113.62 112.18 1zea n SER 203 Ca 0.20 -0.78 -0.23 0.00 1.01 0.00 0.00 58.87 59.07 1zea n SER 203 Cb 0.52 -3.89 -0.14 0.00 -1.01 0.00 0.00 64.21 59.70 1zea n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1zea s THR 204 N -3.30 1.38 -0.01 0.44 2.01 -1.01 -5.03 115.64 110.12 1zea s THR 204 Ca 0.67 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1zea s THR 204 Cb -0.34 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1zea s THR 204 CO 0.83 0.18 -0.00 -0.75 -0.69 0.00 0.00 174.62 174.18 1zea s LYS 205 N -0.96 0.15 -0.08 4.92 2.20 -1.26 -0.01 119.74 124.70 1zea s LYS 205 Ca 0.05 0.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 1zea s LYS 205 Cb -0.08 -0.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.98 1zea s LYS 205 CO 0.01 -0.06 -0.20 0.08 -0.36 0.00 0.00 175.35 174.82 1zea s VAL 206 N 0.53 1.73 -0.24 4.02 1.01 -0.33 -4.95 120.40 122.17 1zea s VAL 206 Ca -0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1zea s VAL 206 Cb -0.07 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.83 1zea s VAL 206 CO -0.01 0.49 -0.08 -1.81 0.00 0.00 0.00 175.10 173.68 1zea s ASP 207 N 0.31 4.21 -0.22 3.32 1.01 -1.26 -0.11 116.67 123.93 1zea s ASP 207 Ca -0.14 -0.92 -0.03 0.00 0.71 0.00 0.00 52.55 52.17 1zea s ASP 207 Cb -0.16 -1.63 -0.00 0.00 1.01 0.00 0.00 42.92 42.14 1zea s ASP 207 CO 0.06 -0.12 -0.06 -0.54 0.21 0.00 0.00 175.17 174.72 1zea s LYS 208 N 1.29 3.27 0.02 8.23 -0.14 -0.17 -4.95 119.74 127.29 1zea s LYS 208 Ca -0.01 -0.69 -0.25 0.00 -1.36 0.00 0.00 55.97 53.66 1zea s LYS 208 Cb -0.17 -2.96 -0.05 0.00 -1.68 0.00 0.00 37.83 32.97 1zea s LYS 208 CO -0.05 -0.23 0.78 0.21 -0.76 0.00 0.00 175.35 175.30 1zea s LYS 209 N 1.44 4.49 -0.22 1.68 2.20 -1.26 -0.90 119.74 127.18 1zea s LYS 209 Ca 0.05 1.07 -0.21 0.00 -0.36 0.00 0.00 55.97 56.52 1zea s LYS 209 Cb -0.14 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 1zea s LYS 209 CO -0.04 0.20 0.63 0.42 -0.36 0.00 0.00 175.35 176.19 1zea s ILE 210 N 0.25 5.01 0.19 5.43 -1.09 0.04 -4.98 121.20 126.04 1zea s ILE 210 Ca 0.40 1.16 0.09 0.00 -2.23 0.00 0.00 60.65 60.07 1zea s ILE 210 Cb -0.20 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1zea s ILE 210 CO 0.23 0.09 -0.19 0.68 -1.23 0.00 0.00 174.94 174.51 1zea s VAL 211 N 2.09 1.99 0.45 2.92 -7.23 -1.26 -4.64 120.40 114.72 1zea s VAL 211 Ca 0.28 -2.05 -0.25 0.00 -1.81 0.00 0.00 61.98 58.14 1zea s VAL 211 Cb -0.16 -1.99 -0.08 0.00 0.56 0.00 0.00 36.38 34.71 1zea s VAL 211 CO 0.10 -0.34 1.43 -2.84 -0.31 0.00 0.00 175.10 173.14 1zea s PRO 212 N -3.01 3.68 0.00 4.82 0.02 -1.26 -4.79 135.00 134.46 1zea s PRO 212 Ca 0.20 2.42 0.13 0.00 0.02 0.00 0.00 61.00 63.77 1zea s PRO 212 Cb -0.05 -2.65 0.79 0.00 0.02 0.00 0.00 34.50 32.61 1zea s PRO 212 CO 0.08 -0.82 1.22 0.54 -0.33 0.00 0.00 177.00 177.69