#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kno n VAL 2 N 0.00 0.50 -3.31 2.53 3.14 -1.24 -4.58 118.33 115.37 1kno n VAL 2 Ca 0.00 -0.42 0.03 0.00 -2.96 0.00 0.00 64.34 60.99 1kno n VAL 2 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 1kno n VAL 2 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1kno s LYS 3 N -0.83 0.29 -0.12 1.45 2.20 0.15 -4.93 119.74 117.95 1kno s LYS 3 Ca 0.49 0.65 -0.05 0.00 -0.36 0.00 0.00 55.97 56.70 1kno s LYS 3 Cb -0.52 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.14 1kno s LYS 3 CO 0.52 -0.18 0.07 -0.51 -0.36 0.00 0.00 175.35 174.90 1kno s LEU 4 N 2.63 3.98 -0.33 5.43 2.01 -1.26 -0.61 118.68 130.53 1kno s LEU 4 Ca 0.00 0.28 -0.01 0.00 0.01 0.00 0.00 54.13 54.40 1kno s LEU 4 Cb -0.08 -1.96 0.12 0.00 0.01 0.00 0.00 46.19 44.28 1kno s LEU 4 CO -0.16 0.35 0.16 -0.69 1.01 0.00 0.00 176.35 177.02 1kno s VAL 5 N -0.70 0.44 0.68 -1.59 1.01 0.19 -4.27 120.40 116.16 1kno s VAL 5 Ca 0.12 -1.44 -0.15 0.00 0.00 0.00 0.00 61.98 60.52 1kno s VAL 5 Cb -0.12 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1kno s VAL 5 CO 0.03 -0.81 1.13 -1.61 0.00 0.00 0.00 175.10 173.83 1kno s GLU 6 N 1.45 2.62 0.00 2.72 8.01 -1.26 -2.02 118.70 130.22 1kno s GLU 6 Ca 0.13 1.46 0.00 0.00 0.01 0.00 0.00 54.97 56.57 1kno s GLU 6 Cb -0.19 -1.92 0.00 0.00 -4.31 0.00 0.00 34.13 27.70 1kno s GLU 6 CO -0.18 -1.41 0.00 -1.13 0.01 0.00 0.00 175.26 172.55 1kno n SER 7 N -2.55 0.00 0.00 -0.19 3.41 0.49 -4.75 113.62 110.03 1kno n SER 7 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1kno n SER 7 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1kno n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kno n GLY 8 N 0.00 0.00 3.64 5.00 0.00 -1.26 -2.92 105.19 109.65 1kno n GLY 8 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1kno n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kno s GLY 9 N 0.00 1.61 0.00 -0.02 0.00 -1.26 -4.66 107.32 102.99 1kno s GLY 9 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1kno s GLY 9 CO 0.00 0.61 0.00 0.61 0.00 0.00 0.00 173.10 174.32 1kno n GLY 10 N -0.28 -0.64 3.74 0.20 0.00 -0.36 -4.93 105.19 102.92 1kno n GLY 10 Ca 0.07 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1kno n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kno s LEU 11 N 0.00 4.37 -0.05 0.99 0.20 -1.26 -1.57 118.68 121.37 1kno s LEU 11 Ca 0.00 1.17 0.00 0.00 0.69 0.00 0.00 54.13 56.00 1kno s LEU 11 Cb 0.00 -2.99 0.02 0.00 -0.43 0.00 0.00 46.19 42.79 1kno s LEU 11 CO 0.00 0.01 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.36 1kno s VAL 12 N 0.24 0.39 0.31 1.68 1.01 0.13 -4.94 120.40 119.22 1kno s VAL 12 Ca 0.34 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 1kno s VAL 12 Cb -0.18 -0.47 -0.10 0.00 0.00 0.00 0.00 36.38 35.63 1kno s VAL 12 CO 0.18 0.21 1.38 -1.10 0.00 0.00 0.00 175.10 175.76 1kno s GLN 13 N 1.18 4.29 0.72 2.72 -0.21 -1.25 -1.68 119.66 125.43 1kno s GLN 13 Ca -0.07 2.30 -0.16 0.00 0.02 0.00 0.00 55.36 57.44 1kno s GLN 13 Cb -0.14 -3.07 -0.06 0.00 1.00 0.00 0.00 33.01 30.74 1kno s GLN 13 CO -0.02 -0.32 0.34 -0.35 -2.12 0.00 0.00 175.29 172.83 1kno n PRO 14 N 1.28 0.23 0.00 2.91 -0.04 -1.26 -0.19 135.00 137.93 1kno n PRO 14 Ca 0.02 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1kno n PRO 14 Cb 0.41 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1kno n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kno n GLY 15 N 1.89 2.60 2.39 0.55 0.00 0.17 -4.90 105.19 107.89 1kno n GLY 15 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1kno n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kno n GLY 16 N -0.30 -3.27 2.96 -0.02 0.00 0.74 -3.65 105.19 101.65 1kno n GLY 16 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 1kno n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kno s SER 17 N -3.22 0.08 0.06 1.61 0.01 -1.26 -1.87 113.70 109.11 1kno s SER 17 Ca 0.49 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.60 1kno s SER 17 Cb -0.07 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 1kno s SER 17 CO 0.39 -0.17 -0.09 -0.13 0.41 0.00 0.00 173.24 173.65 1kno s ARG 18 N -0.73 0.65 -0.29 12.44 1.81 -1.21 -4.97 118.95 126.65 1kno s ARG 18 Ca -0.08 -0.91 0.01 0.00 -1.72 0.00 0.00 55.73 53.03 1kno s ARG 18 Cb -0.05 -0.41 0.09 0.00 -0.45 0.00 0.00 34.95 34.13 1kno s ARG 18 CO -0.00 0.07 0.04 0.21 -0.68 0.00 0.00 175.30 174.94 1kno s LYS 19 N -2.02 1.15 0.57 3.54 2.20 -1.26 0.82 119.74 124.75 1kno s LYS 19 Ca -0.04 -1.22 -0.08 0.00 -0.36 0.00 0.00 55.97 54.28 1kno s LYS 19 Cb -0.07 -2.47 -0.02 0.00 -1.51 0.00 0.00 37.83 33.75 1kno s LYS 19 CO 0.00 -0.85 0.91 -0.51 -0.36 0.00 0.00 175.35 174.54 1kno s LEU 20 N 1.39 3.36 0.01 5.43 1.43 -0.53 -4.79 118.68 124.97 1kno s LEU 20 Ca 0.05 1.03 0.04 0.00 -1.03 0.00 0.00 54.13 54.22 1kno s LEU 20 Cb -0.18 -3.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 1kno s LEU 20 CO -0.15 -0.85 -0.14 -0.44 0.23 0.00 0.00 176.35 175.01 1kno s SER 21 N -4.20 1.62 -0.26 2.29 0.01 -1.15 -2.83 113.70 109.18 1kno s SER 21 Ca 0.52 -0.34 -0.01 0.00 1.31 0.00 0.00 55.95 57.43 1kno s SER 21 Cb -0.11 -0.14 0.08 0.00 0.21 0.00 0.00 66.02 66.06 1kno s SER 21 CO 0.48 0.10 0.04 0.00 0.41 0.00 0.00 173.24 174.27 1kno s ALA 23 N 1.58 3.49 0.05 0.00 0.00 -0.85 -0.63 121.76 125.39 1kno s ALA 23 Ca 0.03 0.06 0.09 0.00 0.00 0.00 0.00 51.96 52.15 1kno s ALA 23 Cb -0.18 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 1kno s ALA 23 CO -0.15 0.20 -0.26 0.00 0.00 0.00 0.00 175.76 175.55 1kno s ALA 24 N -0.34 2.20 -0.10 0.00 0.00 -0.41 0.55 121.76 123.66 1kno s ALA 24 Ca 0.32 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 1kno s ALA 24 Cb -0.19 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.51 1kno s ALA 24 CO 0.18 0.52 0.41 -1.54 0.00 0.00 0.00 175.76 175.33 1kno s SER 25 N -1.24 -0.38 0.00 0.00 1.04 0.22 -4.87 113.70 108.48 1kno s SER 25 Ca 0.11 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1kno s SER 25 Cb -0.10 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1kno s SER 25 CO 0.02 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1kno n GLY 26 N 2.08 0.96 3.53 7.32 0.00 -1.26 0.34 105.19 118.15 1kno n GLY 26 Ca -0.17 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1kno n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kno s PHE 27 N -2.00 -0.39 -1.15 1.61 -0.71 -1.26 -3.99 117.98 110.10 1kno s PHE 27 Ca 0.00 0.42 -0.22 0.00 -1.04 0.00 0.00 56.93 56.09 1kno s PHE 27 Cb 0.00 0.50 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1kno s PHE 27 CO 0.00 -0.50 1.88 0.95 -1.34 0.00 0.00 175.22 176.21 1kno s THR 28 N -2.35 3.65 0.27 -4.49 -4.23 -1.26 -4.78 115.64 102.45 1kno s THR 28 Ca 0.01 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.48 1kno s THR 28 Cb -0.01 -4.61 0.37 0.00 1.34 0.00 0.00 72.50 69.59 1kno s THR 28 CO -0.04 -1.21 1.59 0.15 -0.54 0.00 0.00 174.62 174.57 1kno h PHE 29 N 9.63 -0.24 0.00 3.99 3.57 -1.94 0.11 116.94 132.07 1kno h PHE 29 Ca 0.23 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1kno h PHE 29 Cb 0.94 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1kno h PHE 29 CO 1.25 -0.36 0.32 0.43 -2.23 0.00 0.00 178.31 177.72 1kno n SER 30 N -5.48 0.19 -0.01 0.41 7.64 -1.26 -1.23 113.62 113.87 1kno n SER 30 Ca 0.16 0.42 0.09 0.00 1.01 0.00 0.00 58.87 60.55 1kno n SER 30 Cb 0.54 -0.37 -0.13 0.00 -1.01 0.00 0.00 64.21 63.25 1kno n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1kno n SER 31 N -1.73 0.87 -4.58 6.43 7.64 0.39 -4.75 113.62 117.88 1kno n SER 31 Ca -0.00 -0.32 -0.26 0.00 1.01 0.00 0.00 58.87 59.30 1kno n SER 31 Cb 0.33 1.53 -0.09 0.00 -1.01 0.00 0.00 64.21 64.97 1kno n SER 31 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1kno s PHE 32 N -3.04 2.64 -0.06 1.43 0.40 -0.37 -4.79 117.98 114.20 1kno s PHE 32 Ca -0.02 -0.22 -0.16 0.00 -0.60 0.00 0.00 56.93 55.93 1kno s PHE 32 Cb 0.12 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.34 1kno s PHE 32 CO 0.74 0.54 0.41 0.20 0.70 0.00 0.00 175.22 177.81 1kno s GLY 33 N -3.02 2.41 0.54 4.36 0.00 -1.26 -4.02 107.32 106.34 1kno s GLY 33 Ca 0.26 -0.24 0.07 0.00 0.00 0.00 0.00 44.72 44.81 1kno s GLY 33 CO 0.16 0.37 0.74 1.06 0.00 0.00 0.00 173.10 175.44 1kno s MET 34 N -0.35 2.43 0.11 2.90 1.00 -0.33 -0.50 119.30 124.55 1kno s MET 34 Ca 0.23 -1.35 -0.04 0.00 0.00 0.00 0.00 55.69 54.54 1kno s MET 34 Cb -0.16 -2.63 -0.03 0.00 0.00 0.00 0.00 34.83 32.02 1kno s MET 34 CO 0.11 -0.72 0.09 -1.01 0.00 0.00 0.00 175.02 173.49 1kno s HIS 35 N -2.63 0.56 -0.12 -0.03 3.76 -0.27 -2.45 115.29 114.12 1kno s HIS 35 Ca 0.60 -1.00 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 1kno s HIS 35 Cb -0.08 -0.31 0.02 0.00 1.11 0.00 0.00 32.58 33.32 1kno s HIS 35 CO 0.38 -0.52 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.03 1kno s TRP 36 N -3.97 1.92 -0.06 1.40 0.52 -0.92 -1.70 118.94 116.13 1kno s TRP 36 Ca 0.15 -0.94 0.03 0.00 0.02 0.00 0.00 56.10 55.35 1kno s TRP 36 Cb 0.06 -1.41 0.01 0.00 -1.15 0.00 0.00 33.47 30.98 1kno s TRP 36 CO -0.04 -0.51 -0.12 0.08 0.02 0.00 0.00 176.95 176.38 1kno s VAL 37 N 1.17 1.10 0.16 4.03 1.01 -0.33 -1.15 120.40 126.39 1kno s VAL 37 Ca -0.03 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1kno s VAL 37 Cb -0.14 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1kno s VAL 37 CO -0.04 0.34 -0.15 0.00 0.00 0.00 0.00 175.10 175.25 1kno s ARG 38 N 0.51 1.88 -0.14 2.72 1.70 0.17 -0.37 118.95 125.41 1kno s ARG 38 Ca -0.11 -1.28 -0.04 0.00 -0.47 0.00 0.00 55.73 53.83 1kno s ARG 38 Cb -0.14 -2.09 0.06 0.00 -0.57 0.00 0.00 34.95 32.21 1kno s ARG 38 CO 0.03 0.44 0.12 -1.14 -1.08 0.00 0.00 175.30 173.68 1kno s GLN 39 N -2.56 0.06 0.16 3.89 0.74 -0.80 0.64 119.66 121.79 1kno s GLN 39 Ca 0.22 0.16 -0.30 0.00 0.05 0.00 0.00 55.36 55.48 1kno s GLN 39 Cb -0.09 -1.23 -0.08 0.00 1.10 0.00 0.00 33.01 32.71 1kno s GLN 39 CO 0.13 -0.55 1.29 0.00 -0.55 0.00 0.00 175.29 175.60 1kno s ALA 40 N 2.21 3.50 0.00 1.58 0.00 -1.25 -1.27 121.76 126.53 1kno s ALA 40 Ca 0.04 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1kno s ALA 40 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1kno s ALA 40 CO -0.08 -0.50 0.00 -2.30 0.00 0.00 0.00 175.76 172.87 1kno n PRO 41 N 3.04 0.00 -2.68 0.00 -0.02 -1.26 0.13 135.00 134.21 1kno n PRO 41 Ca 0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.46 1kno n PRO 41 Cb 0.44 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.95 1kno n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1kno n GLU 42 N 0.00 1.14 -2.02 -0.52 1.02 -1.26 -5.09 120.64 113.91 1kno n GLU 42 Ca 0.00 -3.16 -0.00 0.00 -0.02 0.00 0.00 57.16 53.98 1kno n GLU 42 Cb 0.00 -1.17 -0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1kno n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1kno n LYS 43 N -0.08 0.79 -1.97 3.49 5.02 0.34 -5.17 118.16 120.57 1kno n LYS 43 Ca 0.09 -0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.12 1kno n LYS 43 Cb 0.82 0.02 0.14 0.00 -0.02 0.00 0.00 35.03 35.98 1kno n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kno n GLY 44 N 1.96 -0.37 3.83 0.72 0.00 -1.26 -4.59 105.19 105.48 1kno n GLY 44 Ca -0.00 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 1kno n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kno s LEU 45 N 0.00 3.61 -0.12 0.99 1.43 -1.26 -3.96 118.68 119.37 1kno s LEU 45 Ca 0.61 1.66 -0.05 0.00 -1.03 0.00 0.00 54.13 55.32 1kno s LEU 45 Cb -0.02 -4.52 0.06 0.00 0.03 0.00 0.00 46.19 41.73 1kno s LEU 45 CO 0.42 -0.75 0.24 -0.70 0.23 0.00 0.00 176.35 175.78 1kno s GLU 46 N -4.00 0.14 0.38 1.70 2.12 0.21 -4.95 118.70 114.30 1kno s GLU 46 Ca 0.61 0.66 -0.27 0.00 0.36 0.00 0.00 54.97 56.33 1kno s GLU 46 Cb -0.12 -0.09 -0.09 0.00 0.26 0.00 0.00 34.13 34.09 1kno s GLU 46 CO 0.32 -0.26 1.27 -0.46 -0.54 0.00 0.00 175.26 175.58 1kno s TRP 47 N 2.12 2.95 0.00 5.30 -0.00 -1.26 -0.66 118.94 127.38 1kno s TRP 47 Ca -0.01 1.45 0.00 0.00 -0.00 0.00 0.00 56.10 57.54 1kno s TRP 47 Cb -0.12 -3.60 0.00 0.00 -0.00 0.00 0.00 33.47 29.76 1kno s TRP 47 CO -0.08 -1.82 0.00 0.28 -0.00 0.00 0.00 176.95 175.33 1kno n VAL 48 N 0.30 0.00 -3.60 5.86 0.31 -0.30 -4.68 118.33 116.22 1kno n VAL 48 Ca 0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 1kno n VAL 48 Cb 0.44 -0.55 -0.02 0.00 -0.91 0.00 0.00 33.84 32.80 1kno n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kno s ALA 49 N -1.79 -1.49 -0.23 3.52 0.00 -1.21 -0.81 121.76 119.75 1kno s ALA 49 Ca 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 1kno s ALA 49 Cb 0.00 0.83 0.08 0.00 0.00 0.00 0.00 23.12 24.03 1kno s ALA 49 CO 0.00 -0.87 0.55 -0.47 0.00 0.00 0.00 175.76 174.96 1kno s TYR 50 N -3.74 -0.88 -0.13 0.00 5.04 -1.10 -2.17 117.35 114.37 1kno s TYR 50 Ca 0.05 1.76 0.02 0.00 -2.44 0.00 0.00 57.07 56.46 1kno s TYR 50 Cb -0.03 0.47 0.01 0.00 0.35 0.00 0.00 41.96 42.77 1kno s TYR 50 CO -0.05 -0.47 -0.19 -1.50 -1.34 0.00 0.00 175.55 172.01 1kno s ILE 51 N 1.78 1.82 0.83 3.14 2.07 -1.03 -0.16 121.20 129.66 1kno s ILE 51 Ca -0.08 -0.82 -0.12 0.00 -1.41 0.00 0.00 60.65 58.21 1kno s ILE 51 Cb -0.08 -1.64 0.10 0.00 0.13 0.00 0.00 42.46 40.97 1kno s ILE 51 CO -0.16 0.50 1.16 -0.94 -1.91 0.00 0.00 174.94 173.59 1kno s SER 52 N 1.00 3.60 0.29 4.50 1.04 -0.30 -1.19 113.70 122.65 1kno s SER 52 Ca -0.04 2.18 0.04 0.00 0.48 0.00 0.00 55.95 58.61 1kno s SER 52 Cb -0.15 -2.57 0.73 0.00 0.10 0.00 0.00 66.02 64.14 1kno s SER 52 CO -0.04 -2.65 1.71 0.77 0.98 0.00 0.00 173.24 174.00 1kno h SER 53 N -1.25 0.39 0.20 7.02 4.64 -1.87 0.13 113.55 122.81 1kno h SER 53 Ca -0.45 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1kno h SER 53 Cb 1.27 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1kno h SER 53 CO 0.46 0.03 -0.10 0.61 -0.87 0.00 0.00 176.83 176.96 1kno n GLY 54 N -1.33 -0.65 2.77 -0.77 0.00 -1.26 -4.88 105.19 99.07 1kno n GLY 54 Ca 0.22 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1kno n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kno n SER 55 N -0.62 -4.06 -2.64 1.61 7.64 0.47 -4.92 113.62 111.09 1kno n SER 55 Ca 0.16 -0.36 -0.11 0.00 1.01 0.00 0.00 58.87 59.57 1kno n SER 55 Cb 0.29 -3.43 0.03 0.00 -1.01 0.00 0.00 64.21 60.09 1kno n SER 55 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1kno n SER 56 N -1.67 2.09 0.00 6.43 3.41 -1.26 -4.93 113.62 117.70 1kno n SER 56 Ca -0.05 -2.79 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 1kno n SER 56 Cb 0.56 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1kno n SER 56 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1kno n THR 57 N -0.23 0.00 -4.39 6.66 -1.04 -1.26 -4.93 114.28 109.09 1kno n THR 57 Ca 0.15 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.96 1kno n THR 57 Cb 0.80 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 69.17 1kno n THR 57 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1kno s ILE 58 N 0.00 0.93 0.30 12.58 1.01 -1.26 -1.15 121.20 133.61 1kno s ILE 58 Ca 0.00 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.01 1kno s ILE 58 Cb 0.00 -0.82 -0.06 0.00 0.01 0.00 0.00 42.46 41.59 1kno s ILE 58 CO 0.00 0.10 -0.08 -0.31 0.00 0.00 0.00 174.94 174.65 1kno s TYR 59 N -0.58 2.11 -0.00 3.97 2.02 0.78 -4.97 117.35 120.69 1kno s TYR 59 Ca 0.02 -0.62 -0.14 0.00 -0.37 0.00 0.00 57.07 55.96 1kno s TYR 59 Cb -0.06 -1.19 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1kno s TYR 59 CO 0.00 0.40 0.29 0.71 -1.57 0.00 0.00 175.55 175.38 1kno s TYR 60 N -2.86 -0.14 0.27 2.71 2.02 -1.26 -2.69 117.35 115.39 1kno s TYR 60 Ca 0.30 0.17 -0.30 0.00 -0.37 0.00 0.00 57.07 56.88 1kno s TYR 60 Cb 0.03 0.08 -0.09 0.00 -0.40 0.00 0.00 41.96 41.58 1kno s TYR 60 CO 0.13 -0.40 1.06 0.00 -1.57 0.00 0.00 175.55 174.77 1kno s ALA 61 N -1.59 3.39 0.26 3.71 0.00 0.01 -4.84 121.76 122.71 1kno s ALA 61 Ca -0.12 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.65 1kno s ALA 61 Cb -0.04 -3.30 0.47 0.00 0.00 0.00 0.00 23.12 20.24 1kno s ALA 61 CO 0.03 -0.07 1.81 -0.44 0.00 0.00 0.00 175.76 177.08 1kno h ASP 62 N 3.94 0.73 -0.09 0.00 3.32 -1.92 0.24 116.42 122.65 1kno h ASP 62 Ca -0.46 0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.67 1kno h ASP 62 Cb 1.21 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 1kno h ASP 62 CO 0.67 0.39 0.17 0.71 -1.72 0.00 0.00 179.24 179.47 1kno h THR 63 N 0.83 0.27 0.00 0.35 1.35 -1.95 -3.02 112.91 110.73 1kno h THR 63 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.30 1kno h THR 63 Cb 0.45 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1kno h THR 63 CO -0.27 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.33 1kno n VAL 64 N -3.45 0.00 -1.25 6.82 0.24 0.11 -5.00 118.33 115.81 1kno n VAL 64 Ca -0.00 -0.46 -0.45 0.00 -2.04 0.00 0.00 64.34 61.38 1kno n VAL 64 Cb 0.26 1.02 -0.04 0.00 -1.47 0.00 0.00 33.84 33.61 1kno n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1kno n LYS 65 N -0.72 0.00 0.00 7.34 5.02 0.63 -1.75 118.16 128.69 1kno n LYS 65 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1kno n LYS 65 Cb 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1kno n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kno n GLY 66 N 1.63 1.11 0.14 0.72 0.00 -1.26 -4.55 105.19 102.97 1kno n GLY 66 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1kno n GLY 66 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1kno h ARG 67 N 0.00 0.46 -6.17 1.61 3.08 -1.60 -3.46 114.38 108.29 1kno h ARG 67 Ca 0.00 -0.78 -0.58 0.00 0.07 0.00 0.00 59.98 58.69 1kno h ARG 67 Cb 0.00 0.29 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1kno h ARG 67 CO 0.00 1.37 -0.22 -0.06 -1.07 0.00 0.00 179.97 179.99 1kno s PHE 68 N -2.61 3.56 -0.10 3.04 0.40 -0.96 -2.56 117.98 118.75 1kno s PHE 68 Ca -0.09 0.81 0.01 0.00 -0.60 0.00 0.00 56.93 57.07 1kno s PHE 68 Cb 0.05 -2.18 0.02 0.00 0.51 0.00 0.00 43.02 41.41 1kno s PHE 68 CO 0.92 0.48 -0.14 0.99 0.70 0.00 0.00 175.22 178.17 1kno s THR 69 N -1.47 1.40 0.10 0.64 2.01 0.52 -4.91 115.64 113.94 1kno s THR 69 Ca 0.36 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.79 1kno s THR 69 Cb -0.14 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1kno s THR 69 CO 0.19 0.42 0.21 -0.51 -0.69 0.00 0.00 174.62 174.24 1kno s ILE 70 N 1.04 5.17 -0.07 1.82 2.07 -1.26 -0.10 121.20 129.88 1kno s ILE 70 Ca -0.06 -0.60 -0.31 0.00 -1.41 0.00 0.00 60.65 58.27 1kno s ILE 70 Cb -0.15 -3.58 0.11 0.00 0.13 0.00 0.00 42.46 38.98 1kno s ILE 70 CO -0.02 0.04 1.03 -0.94 -1.91 0.00 0.00 174.94 173.14 1kno s SER 71 N -2.79 -0.26 0.03 4.50 1.04 -0.69 -4.97 113.70 110.56 1kno s SER 71 Ca 0.34 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.73 1kno s SER 71 Cb -0.12 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 1kno s SER 71 CO 0.27 -0.48 -0.03 0.00 0.98 0.00 0.00 173.24 173.99 1kno s ARG 72 N -2.84 0.45 -0.65 4.02 1.70 -1.26 0.24 118.95 120.61 1kno s ARG 72 Ca 0.07 -0.89 0.05 0.00 -0.47 0.00 0.00 55.73 54.49 1kno s ARG 72 Cb -0.01 0.16 0.19 0.00 -0.57 0.00 0.00 34.95 34.72 1kno s ARG 72 CO -0.07 -0.08 0.54 -3.47 -1.08 0.00 0.00 175.30 171.15 1kno n ASP 73 N 0.90 2.75 -0.25 -2.89 2.03 0.36 -4.99 116.55 114.46 1kno n ASP 73 Ca -0.19 -3.17 0.14 0.00 0.52 0.00 0.00 54.79 52.09 1kno n ASP 73 Cb 0.58 -0.71 0.28 0.00 -0.72 0.00 0.00 41.12 40.54 1kno n ASP 73 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1kno n ASN 74 N 1.76 0.00 0.19 1.67 3.02 -1.26 0.40 115.26 121.04 1kno n ASN 74 Ca 0.23 1.27 0.03 0.00 -0.03 0.00 0.00 54.58 56.08 1kno n ASN 74 Cb 0.38 -0.50 0.40 0.00 -0.61 0.00 0.00 39.78 39.45 1kno n ASN 74 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1kno h PRO 75 N 0.00 0.03 -0.63 3.52 0.13 -1.96 -2.32 132.00 130.77 1kno h PRO 75 Ca 0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.62 1kno h PRO 75 Cb 1.13 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1kno h PRO 75 CO -0.67 0.33 0.00 1.63 -0.23 0.00 0.00 178.00 179.05 1kno n LYS 76 N -4.18 3.26 -4.28 0.86 5.02 0.16 -4.96 118.16 114.04 1kno n LYS 76 Ca -0.02 -2.36 -0.33 0.00 -2.02 0.00 0.00 58.31 53.57 1kno n LYS 76 Cb 0.35 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 1kno n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1kno n ASN 77 N 0.90 0.20 -3.80 4.39 4.13 -0.87 -4.87 115.26 115.35 1kno n ASN 77 Ca 0.21 -1.28 -0.18 0.00 1.68 0.00 0.00 54.58 55.01 1kno n ASN 77 Cb 0.76 -1.61 -0.16 0.00 -1.54 0.00 0.00 39.78 37.22 1kno n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1kno s THR 78 N -4.26 0.16 0.36 3.41 2.01 -1.24 -1.29 115.64 114.79 1kno s THR 78 Ca 0.07 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 1kno s THR 78 Cb -0.04 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1kno s THR 78 CO 1.00 0.16 0.59 -0.22 -0.69 0.00 0.00 174.62 175.46 1kno s LEU 79 N 1.24 3.95 0.04 4.42 2.96 0.19 -0.49 118.68 130.99 1kno s LEU 79 Ca -0.07 0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 54.39 1kno s LEU 79 Cb -0.13 -3.45 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 1kno s LEU 79 CO -0.02 -0.33 0.04 -0.36 -1.32 0.00 0.00 176.35 174.35 1kno s PHE 80 N -2.36 0.30 -0.20 5.38 0.40 0.65 -1.86 117.98 120.28 1kno s PHE 80 Ca 0.42 -0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 56.04 1kno s PHE 80 Cb -0.10 -0.22 0.08 0.00 0.51 0.00 0.00 43.02 43.30 1kno s PHE 80 CO 0.37 -0.33 0.17 -1.17 0.70 0.00 0.00 175.22 174.96 1kno s LEU 81 N -2.20 0.10 -0.25 -0.37 0.20 -1.13 -1.70 118.68 113.33 1kno s LEU 81 Ca -0.04 -0.47 -0.11 0.00 0.69 0.00 0.00 54.13 54.20 1kno s LEU 81 Cb -0.01 0.11 -0.05 0.00 -0.43 0.00 0.00 46.19 45.81 1kno s LEU 81 CO -0.05 -0.35 0.20 -1.58 -0.29 0.00 0.00 176.35 174.28 1kno s GLN 82 N 2.24 4.05 0.05 1.98 2.00 0.86 -1.46 119.66 129.39 1kno s GLN 82 Ca 0.05 -0.22 -0.00 0.00 -2.00 0.00 0.00 55.36 53.19 1kno s GLN 82 Cb -0.16 -3.57 -0.04 0.00 0.80 0.00 0.00 33.01 30.04 1kno s GLN 82 CO -0.14 -0.02 0.20 -1.64 -0.50 0.00 0.00 175.29 173.18 1kno s MET 83 N 1.30 3.39 -0.15 1.67 -1.94 0.24 -0.35 119.30 123.46 1kno s MET 83 Ca 0.09 -0.44 -0.12 0.00 -1.71 0.00 0.00 55.69 53.50 1kno s MET 83 Cb -0.14 -3.02 0.04 0.00 2.01 0.00 0.00 34.83 33.72 1kno s MET 83 CO 0.07 0.62 0.40 0.99 -0.01 0.00 0.00 175.02 177.08 1kno s THR 84 N -1.47 -0.01 -0.62 2.05 2.01 -1.06 -3.30 115.64 113.25 1kno s THR 84 Ca 0.33 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.32 1kno s THR 84 Cb -0.13 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1kno s THR 84 CO 0.26 0.01 0.54 -1.20 -0.69 0.00 0.00 174.62 173.54 1kno n SER 85 N 3.29 -4.00 -4.50 3.53 7.64 -1.16 -4.54 113.62 113.87 1kno n SER 85 Ca -0.16 -0.25 -0.49 0.00 1.01 0.00 0.00 58.87 58.99 1kno n SER 85 Cb 0.57 -2.56 -0.06 0.00 -1.01 0.00 0.00 64.21 61.14 1kno n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1kno n LEU 86 N -2.55 2.51 0.00 -3.43 4.77 -0.78 -4.55 117.00 112.97 1kno n LEU 86 Ca 0.00 0.39 -0.06 0.00 -0.03 0.00 0.00 56.01 56.32 1kno n LEU 86 Cb 0.53 -1.35 0.04 0.00 -2.33 0.00 0.00 43.42 40.31 1kno n LEU 86 CO 0.30 -0.68 0.16 0.54 -1.33 0.00 0.00 177.39 176.37 1kno n ARG 87 N 8.23 0.10 0.10 3.23 1.74 -1.26 -0.66 116.66 128.14 1kno n ARG 87 Ca 0.37 -0.52 -0.15 0.00 -0.77 0.00 0.00 57.85 56.77 1kno n ARG 87 Cb 0.29 -0.22 -0.13 0.00 -1.02 0.00 0.00 32.46 31.38 1kno n ARG 87 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1kno h SER 88 N -0.25 0.43 -0.17 0.55 0.02 -1.93 -3.20 113.55 109.00 1kno h SER 88 Ca -0.08 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 60.40 1kno h SER 88 Cb 0.26 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1kno h SER 88 CO 0.07 1.33 0.05 -0.33 -1.14 0.00 0.00 176.83 176.81 1kno h GLU 89 N 0.09 0.35 0.00 3.45 3.07 -1.94 -1.27 114.58 118.33 1kno h GLU 89 Ca -0.12 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1kno h GLU 89 Cb 1.91 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.76 1kno h GLU 89 CO 0.20 0.35 0.02 -0.25 -1.40 0.00 0.00 179.01 177.92 1kno n ASP 90 N -4.38 0.11 -4.67 1.42 8.00 -1.21 -4.63 116.55 111.19 1kno n ASP 90 Ca 0.01 0.54 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 1kno n ASP 90 Cb 0.17 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.69 1kno n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1kno s THR 91 N -3.08 3.12 -0.68 -3.53 2.01 -0.48 -4.89 115.64 108.11 1kno s THR 91 Ca -0.00 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1kno s THR 91 Cb 0.01 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1kno s THR 91 CO 0.04 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 173.95 1kno n ALA 92 N 6.56 0.00 -2.61 7.40 0.00 -0.76 -4.51 120.51 126.59 1kno n ALA 92 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.23 1kno n ALA 92 Cb 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 1kno n ALA 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1kno s MET 93 N -1.55 4.02 -0.53 0.00 -2.45 -0.39 -1.99 119.30 116.41 1kno s MET 93 Ca 0.00 0.00 -0.17 0.00 -1.25 0.00 0.00 55.69 54.27 1kno s MET 93 Cb 0.00 -3.64 0.09 0.00 1.25 0.00 0.00 34.83 32.53 1kno s MET 93 CO 0.00 -0.23 0.55 0.71 1.05 0.00 0.00 175.02 177.09 1kno s TYR 94 N 1.93 3.14 0.31 4.11 1.51 0.31 -1.91 117.35 126.76 1kno s TYR 94 Ca 0.14 -0.94 -0.03 0.00 -1.01 0.00 0.00 57.07 55.23 1kno s TYR 94 Cb -0.16 -3.62 -0.04 0.00 -0.11 0.00 0.00 41.96 38.03 1kno s TYR 94 CO 0.10 -1.03 0.55 0.71 -1.11 0.00 0.00 175.55 174.77 1kno s TYR 95 N 2.10 3.49 0.03 2.71 1.51 0.50 -1.31 117.35 126.38 1kno s TYR 95 Ca 0.08 0.53 0.09 0.00 -1.01 0.00 0.00 57.07 56.76 1kno s TYR 95 Cb -0.25 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 1kno s TYR 95 CO 0.07 0.14 -0.26 0.00 -1.11 0.00 0.00 175.55 174.39 1kno s ALA 97 N -0.74 -0.23 0.31 0.00 0.00 -0.69 -0.64 121.76 119.76 1kno s ALA 97 Ca 0.11 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 52.20 1kno s ALA 97 Cb -0.10 -0.27 -0.10 0.00 0.00 0.00 0.00 23.12 22.65 1kno s ALA 97 CO 0.01 -0.09 1.19 0.50 0.00 0.00 0.00 175.76 177.38 1kno s ARG 98 N 0.50 4.48 0.00 0.00 3.52 -0.44 -1.12 118.95 125.90 1kno s ARG 98 Ca -0.04 1.99 0.00 0.00 -0.13 0.00 0.00 55.73 57.55 1kno s ARG 98 Cb -0.05 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1kno s ARG 98 CO -0.02 0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.89 1kno n GLY 99 N 0.98 3.58 3.20 8.12 0.00 0.34 -4.45 105.19 116.96 1kno n GLY 99 Ca -0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 1kno n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kno n ASP 100 N 0.00 -3.38 0.01 1.61 8.00 -1.26 -4.67 116.55 116.86 1kno n ASP 100 Ca 0.00 -0.60 0.03 0.00 0.71 0.00 0.00 54.79 54.93 1kno n ASP 100 Cb 0.00 -4.79 0.14 0.00 -0.02 0.00 0.00 41.12 36.45 1kno n ASP 100 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1kno n TYR 101 N -3.63 0.03 -2.40 1.24 4.02 -1.26 -2.83 117.16 112.33 1kno n TYR 101 Ca -0.20 0.01 -0.37 0.00 -0.01 0.00 0.00 57.90 57.33 1kno n TYR 101 Cb 0.64 -0.52 -0.04 0.00 -0.02 0.00 0.00 39.34 39.40 1kno n TYR 101 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1kno s TYR 102 N -3.02 2.27 0.00 -0.72 1.51 -1.26 -4.29 117.35 111.83 1kno s TYR 102 Ca 0.03 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 1kno s TYR 102 Cb 0.04 -4.49 0.00 0.00 -0.11 0.00 0.00 41.96 37.40 1kno s TYR 102 CO 0.11 -1.93 0.00 0.41 -1.11 0.00 0.00 175.55 173.03 1kno n GLY 103 N 6.61 2.27 0.00 0.71 0.00 -1.26 -4.89 105.19 108.64 1kno n GLY 103 Ca 0.30 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1kno n GLY 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kno n SER 104 N 2.78 0.00 0.00 1.61 3.41 -1.13 -4.77 113.62 115.52 1kno n SER 104 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1kno n SER 104 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1kno n SER 104 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1kno n ARG 105 N -2.66 0.00 -1.60 4.33 0.63 -1.26 -4.92 116.66 111.18 1kno n ARG 105 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 1kno n ARG 105 Cb 0.01 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.10 1kno n ARG 105 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1kno s GLY 106 N 0.00 1.66 -0.22 5.14 0.00 -1.26 -5.08 107.32 107.55 1kno s GLY 106 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 44.72 43.73 1kno s GLY 106 CO 0.00 -0.18 0.51 0.00 0.00 0.00 0.00 173.10 173.43 1kno s ALA 107 N -3.46 -1.39 -0.05 3.20 0.00 -1.26 -4.96 121.76 113.83 1kno s ALA 107 Ca 0.69 1.83 -0.01 0.00 0.00 0.00 0.00 51.96 54.47 1kno s ALA 107 Cb -0.09 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.79 1kno s ALA 107 CO 0.54 -0.52 0.01 0.71 0.00 0.00 0.00 175.76 176.50 1kno s TYR 108 N 1.99 0.49 0.14 0.00 2.02 -1.26 -5.05 117.35 115.68 1kno s TYR 108 Ca -0.07 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 1kno s TYR 108 Cb -0.09 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.78 1kno s TYR 108 CO -0.15 -0.25 0.29 -1.58 -1.57 0.00 0.00 175.55 172.29 1kno s TRP 109 N 1.74 3.49 0.00 2.71 0.52 -1.26 -1.32 118.94 124.82 1kno s TRP 109 Ca 0.01 0.17 0.00 0.00 0.02 0.00 0.00 56.10 56.30 1kno s TRP 109 Cb -0.13 -1.71 0.00 0.00 -1.15 0.00 0.00 33.47 30.48 1kno s TRP 109 CO -0.04 0.51 0.00 0.41 0.02 0.00 0.00 176.95 177.85 1kno n GLY 110 N -0.43 -0.03 0.07 0.98 0.00 0.19 -4.71 105.19 101.25 1kno n GLY 110 Ca -0.06 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.21 1kno n GLY 110 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kno n GLN 111 N -0.69 0.64 0.00 1.61 6.02 -1.26 -4.87 117.38 118.84 1kno n GLN 111 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1kno n GLN 111 Cb 0.00 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.61 1kno n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kno n GLY 112 N 1.34 -0.57 3.56 1.08 0.00 -1.26 -4.95 105.19 104.39 1kno n GLY 112 Ca -0.08 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 1kno n GLY 112 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kno s THR 113 N -1.57 3.04 -0.17 2.61 -1.32 -0.43 -4.87 115.64 112.94 1kno s THR 113 Ca 0.00 -1.96 -0.01 0.00 -1.21 0.00 0.00 61.69 58.50 1kno s THR 113 Cb 0.00 -2.57 -0.01 0.00 -1.51 0.00 0.00 72.50 68.41 1kno s THR 113 CO 0.00 -0.28 -0.10 -0.22 -2.21 0.00 0.00 174.62 171.81 1kno s LEU 114 N -3.28 2.75 -0.17 9.08 2.96 -1.26 0.11 118.68 128.86 1kno s LEU 114 Ca 0.28 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1kno s LEU 114 Cb -0.07 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 45.00 1kno s LEU 114 CO 0.16 0.09 -0.15 0.54 -1.32 0.00 0.00 176.35 175.67 1kno s VAL 115 N 0.82 1.77 -0.24 1.68 0.11 -0.84 -1.23 120.40 122.47 1kno s VAL 115 Ca -0.03 -0.86 -0.05 0.00 -2.93 0.00 0.00 61.98 58.11 1kno s VAL 115 Cb -0.15 -1.69 -0.01 0.00 -1.53 0.00 0.00 36.38 33.00 1kno s VAL 115 CO 0.01 0.40 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.28 1kno s THR 116 N 1.39 3.56 -0.47 5.04 2.01 -0.61 -1.83 115.64 124.73 1kno s THR 116 Ca 0.03 -0.53 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 1kno s THR 116 Cb -0.14 -2.69 0.10 0.00 0.01 0.00 0.00 72.50 69.79 1kno s THR 116 CO -0.11 0.33 0.37 -0.69 -0.69 0.00 0.00 174.62 173.83 1kno s VAL 117 N 1.49 4.67 0.10 3.82 1.01 -1.26 0.20 120.40 130.43 1kno s VAL 117 Ca 0.05 -1.46 -0.16 0.00 0.00 0.00 0.00 61.98 60.41 1kno s VAL 117 Cb -0.15 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1kno s VAL 117 CO -0.01 -0.68 0.38 -0.94 0.00 0.00 0.00 175.10 173.84 1kno s SER 118 N 2.73 -0.20 0.00 3.32 1.04 -0.68 -4.43 113.70 115.48 1kno s SER 118 Ca 0.04 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1kno s SER 118 Cb -0.26 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1kno s SER 118 CO 0.02 -0.79 0.24 0.00 0.98 0.00 0.00 173.24 173.69 1kno n ALA 119 N -0.03 0.00 -0.62 5.32 0.00 -1.26 -3.86 120.51 120.06 1kno n ALA 119 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.30 1kno n ALA 119 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 1kno n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kno n ALA 120 N -0.53 -2.12 -3.92 0.00 0.00 -1.26 -4.88 120.51 107.80 1kno n ALA 120 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1kno n ALA 120 Cb 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 19.45 18.67 1kno n ALA 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1kno s LYS 121 N -3.25 1.59 -0.68 0.00 0.00 -1.26 -5.04 119.74 111.10 1kno s LYS 121 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 55.97 55.09 1kno s LYS 121 Cb 0.00 -2.13 -0.13 0.00 0.00 0.00 0.00 37.83 35.57 1kno s LYS 121 CO 0.00 -0.44 2.49 2.41 0.00 0.00 0.00 175.35 179.82 1kno n THR 124 N 4.82 -0.05 -4.33 3.79 -1.04 -1.26 -4.64 114.28 111.57 1kno n THR 124 Ca -0.13 -0.54 -0.23 0.00 -2.04 0.00 0.00 64.05 61.11 1kno n THR 124 Cb 0.47 -1.99 -0.08 0.00 -1.82 0.00 0.00 70.33 66.91 1kno n THR 124 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1kno s THR 125 N 11.11 3.24 0.03 12.58 2.01 0.41 -4.99 115.64 140.02 1kno s THR 125 Ca 1.10 -2.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 1kno s THR 125 Cb -0.51 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1kno s THR 125 CO 0.32 -0.36 0.13 0.00 -0.69 0.00 0.00 174.62 174.02 1kno s ALA 126 N -2.33 3.75 0.64 7.40 0.00 -1.26 -3.40 121.76 126.57 1kno s ALA 126 Ca 0.31 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 1kno s ALA 126 Cb -0.06 -1.66 0.03 0.00 0.00 0.00 0.00 23.12 21.42 1kno s ALA 126 CO 0.19 0.75 0.96 -1.25 0.00 0.00 0.00 175.76 176.40 1kno s PRO 127 N -2.09 2.63 -0.03 0.00 0.04 -1.26 -4.51 135.00 129.77 1kno s PRO 127 Ca 0.28 -0.06 -0.00 0.00 0.04 0.00 0.00 61.00 61.25 1kno s PRO 127 Cb -0.12 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1kno s PRO 127 CO 0.20 -0.94 0.03 -1.12 0.04 0.00 0.00 177.00 175.21 1kno s SER 128 N -4.39 5.35 -0.23 6.66 0.01 -0.57 -4.97 113.70 115.57 1kno s SER 128 Ca 0.57 0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.95 1kno s SER 128 Cb -0.11 -1.49 0.05 0.00 0.21 0.00 0.00 66.02 64.68 1kno s SER 128 CO 0.46 0.31 -0.14 -0.69 0.41 0.00 0.00 173.24 173.59 1kno s VAL 129 N -1.05 2.08 -0.22 3.43 1.01 -1.26 -1.85 120.40 122.54 1kno s VAL 129 Ca 0.18 -1.35 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 1kno s VAL 129 Cb -0.12 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1kno s VAL 129 CO 0.08 0.17 0.02 -0.31 0.00 0.00 0.00 175.10 175.07 1kno s TYR 130 N 1.19 3.05 0.01 5.22 2.02 0.23 -4.93 117.35 124.15 1kno s TYR 130 Ca -0.04 -0.51 -0.30 0.00 -0.37 0.00 0.00 57.07 55.85 1kno s TYR 130 Cb -0.17 -2.15 -0.06 0.00 -0.40 0.00 0.00 41.96 39.18 1kno s TYR 130 CO -0.08 -0.33 1.36 -1.25 -1.57 0.00 0.00 175.55 173.69 1kno s PRO 131 N 1.31 4.31 -1.19 -1.71 0.04 -1.26 -0.17 135.00 136.33 1kno s PRO 131 Ca 0.04 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 1kno s PRO 131 Cb -0.15 -3.51 0.20 0.00 0.04 0.00 0.00 34.50 31.08 1kno s PRO 131 CO 0.02 -0.52 1.40 1.28 0.04 0.00 0.00 177.00 179.22 1kno n LEU 132 N 5.06 5.45 -4.73 -3.56 4.77 0.11 -4.93 117.00 119.17 1kno n LEU 132 Ca 0.12 -4.63 -0.42 0.00 -0.03 0.00 0.00 56.01 51.06 1kno n LEU 132 Cb 0.44 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 1kno n LEU 132 CO 0.58 0.95 1.06 0.00 -1.33 0.00 0.00 177.39 178.65 1kno s ALA 133 N 0.67 3.59 0.00 -1.18 0.00 -1.26 -2.24 121.76 121.34 1kno s ALA 133 Ca 0.40 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1kno s ALA 133 Cb -0.03 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1kno s ALA 133 CO -0.01 -0.64 0.17 -2.30 0.00 0.00 0.00 175.76 172.98 1kno n PRO 134 N 2.94 0.00 -0.33 0.00 -0.02 -1.26 -4.74 135.00 131.59 1kno n PRO 134 Ca 0.08 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1kno n PRO 134 Cb 0.41 -0.58 0.00 0.00 -0.02 0.00 0.00 33.50 33.31 1kno n PRO 134 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1kno n VAL 135 N -0.38 0.00 0.00 -1.45 3.14 -1.26 -2.66 118.33 115.72 1kno n VAL 135 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1kno n VAL 135 Cb 0.00 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 1kno n VAL 135 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1kno n GLY 137 N 0.00 4.04 0.00 0.00 0.00 -1.09 -4.85 105.19 103.29 1kno n GLY 137 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1kno n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kno n ASP 138 N -0.13 0.00 0.00 1.61 9.92 -1.26 -3.45 116.55 123.24 1kno n ASP 138 Ca 0.36 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.62 1kno n ASP 138 Cb 0.84 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.32 1kno n ASP 138 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1kno n THR 141 N -0.35 0.00 0.00 -3.53 -2.24 -1.26 -1.77 114.28 105.12 1kno n THR 141 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1kno n THR 141 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1kno n THR 141 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1kno n THR 142 N -0.96 0.00 0.00 4.28 -1.04 -1.26 -4.77 114.28 110.53 1kno n THR 142 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1kno n THR 142 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1kno n THR 142 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kno n GLY 143 N 0.00 2.43 0.08 3.41 0.00 -0.73 -4.62 105.19 105.76 1kno n GLY 143 Ca 0.00 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.57 1kno n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kno n SER 144 N 1.47 0.48 -4.24 1.61 3.41 -1.26 -4.78 113.62 110.31 1kno n SER 144 Ca 0.00 -0.32 -0.25 0.00 -0.26 0.00 0.00 58.87 58.04 1kno n SER 144 Cb 0.00 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 63.80 1kno n SER 144 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1kno s SER 145 N -2.74 2.36 -0.15 4.04 1.04 -1.26 -2.78 113.70 114.22 1kno s SER 145 Ca 0.20 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 1kno s SER 145 Cb 0.19 -0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.17 1kno s SER 145 CO 0.56 0.13 -0.03 0.54 0.98 0.00 0.00 173.24 175.42 1kno s VAL 146 N -0.85 0.89 -0.08 5.02 0.11 -0.23 -4.37 120.40 120.89 1kno s VAL 146 Ca 0.06 -0.45 -0.07 0.00 -2.93 0.00 0.00 61.98 58.60 1kno s VAL 146 Cb -0.09 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 1kno s VAL 146 CO 0.02 0.13 0.18 0.42 -3.33 0.00 0.00 175.10 172.52 1kno s THR 147 N 1.73 5.44 0.25 5.04 -4.23 -1.22 -2.22 115.64 120.44 1kno s THR 147 Ca 0.02 0.19 0.06 0.00 -1.18 0.00 0.00 61.69 60.77 1kno s THR 147 Cb -0.15 -3.46 -0.05 0.00 1.34 0.00 0.00 72.50 70.18 1kno s THR 147 CO -0.07 0.54 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.74 1kno s LEU 148 N -1.26 2.39 0.31 4.79 1.02 -0.44 -4.45 118.68 121.05 1kno s LEU 148 Ca 0.19 -1.18 -0.03 0.00 0.02 0.00 0.00 54.13 53.13 1kno s LEU 148 Cb -0.13 -0.51 -0.01 0.00 0.02 0.00 0.00 46.19 45.57 1kno s LEU 148 CO 0.08 -0.39 0.42 -0.83 0.02 0.00 0.00 176.35 175.66 1kno s GLY 149 N -3.38 1.38 -0.08 -3.19 0.00 -0.95 -1.53 107.32 99.58 1kno s GLY 149 Ca 0.28 -1.47 -0.06 0.00 0.00 0.00 0.00 44.72 43.47 1kno s GLY 149 CO 0.10 -1.01 0.20 0.00 0.00 0.00 0.00 173.10 172.39 1kno s LEU 151 N 0.55 3.12 -0.38 0.00 2.96 0.76 -1.91 118.68 123.78 1kno s LEU 151 Ca -0.04 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1kno s LEU 151 Cb -0.05 -1.80 0.11 0.00 0.50 0.00 0.00 46.19 44.94 1kno s LEU 151 CO -0.03 0.00 0.12 -0.69 -1.32 0.00 0.00 176.35 174.44 1kno s VAL 152 N 1.35 2.63 0.07 1.68 1.01 0.68 0.75 120.40 128.57 1kno s VAL 152 Ca 0.04 -2.36 0.07 0.00 0.00 0.00 0.00 61.98 59.73 1kno s VAL 152 Cb -0.15 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1kno s VAL 152 CO -0.00 -0.65 -0.19 -1.59 0.00 0.00 0.00 175.10 172.67 1kno s LYS 153 N 0.85 1.11 0.00 2.72 -2.85 -0.77 0.40 119.74 121.20 1kno s LYS 153 Ca 0.11 -1.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 1kno s LYS 153 Cb -0.21 -1.27 0.00 0.00 -2.06 0.00 0.00 37.83 34.30 1kno s LYS 153 CO -0.06 0.30 0.00 0.41 0.10 0.00 0.00 175.35 176.10 1kno n GLY 154 N 1.42 0.95 3.81 0.59 0.00 0.07 -1.51 105.19 110.52 1kno n GLY 154 Ca -0.19 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 1kno n GLY 154 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kno s TYR 155 N -2.00 2.75 0.00 1.61 -0.85 -1.06 -4.30 117.35 113.50 1kno s TYR 155 Ca 0.00 -0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.13 1kno s TYR 155 Cb 0.00 -1.89 0.00 0.00 0.38 0.00 0.00 41.96 40.45 1kno s TYR 155 CO 0.00 0.14 0.00 0.34 -1.52 0.00 0.00 175.55 174.51 1kno n PHE 156 N -1.34 0.00 -2.08 -3.49 -0.00 -1.22 -0.60 117.46 108.73 1kno n PHE 156 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1kno n PHE 156 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.09 1kno n PHE 156 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1kno n PRO 157 N -0.09 1.43 -2.14 -7.13 -0.04 -1.26 -0.45 135.00 125.32 1kno n PRO 157 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1kno n PRO 157 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1kno n PRO 157 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1kno s GLU 158 N -0.48 3.74 0.15 0.54 0.41 -1.26 -4.78 118.70 117.02 1kno s GLU 158 Ca 0.00 0.89 0.02 0.00 -0.41 0.00 0.00 54.97 55.48 1kno s GLU 158 Cb 0.00 -2.10 0.02 0.00 -1.78 0.00 0.00 34.13 30.27 1kno s GLU 158 CO 0.00 -0.45 0.19 -0.35 -0.49 0.00 0.00 175.26 174.16 1kno n PRO 159 N -2.11 0.99 -3.99 0.39 -0.04 -1.26 -4.94 135.00 124.04 1kno n PRO 159 Ca 0.07 -0.86 -0.08 0.00 -0.04 0.00 0.00 63.50 62.58 1kno n PRO 159 Cb 0.54 -0.02 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 1kno n PRO 159 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kno s VAL 160 N -0.16 0.16 -0.21 0.52 0.11 -1.26 -4.21 120.40 115.34 1kno s VAL 160 Ca 0.14 -1.32 0.02 0.00 -2.93 0.00 0.00 61.98 57.89 1kno s VAL 160 Cb -0.01 -1.04 0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1kno s VAL 160 CO 0.09 -0.73 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.08 1kno s THR 161 N -2.98 2.13 -0.07 5.04 2.01 -0.80 -4.96 115.64 116.02 1kno s THR 161 Ca -0.02 -1.23 -0.01 0.00 0.31 0.00 0.00 61.69 60.74 1kno s THR 161 Cb 0.01 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1kno s THR 161 CO -0.06 0.30 0.02 -0.22 -0.69 0.00 0.00 174.62 173.96 1kno s LEU 162 N 1.21 3.64 -0.05 4.42 0.20 -1.26 -1.01 118.68 125.84 1kno s LEU 162 Ca -0.01 0.14 -0.13 0.00 0.69 0.00 0.00 54.13 54.81 1kno s LEU 162 Cb -0.16 -1.90 0.02 0.00 -0.43 0.00 0.00 46.19 43.72 1kno s LEU 162 CO -0.09 0.36 0.31 0.42 -0.29 0.00 0.00 176.35 177.05 1kno s THR 164 N -0.95 0.04 -0.43 3.68 -4.23 -0.72 -4.97 115.64 108.05 1kno s THR 164 Ca 0.15 -0.35 -0.12 0.00 -1.18 0.00 0.00 61.69 60.19 1kno s THR 164 Cb -0.11 -0.56 0.06 0.00 1.34 0.00 0.00 72.50 73.23 1kno s THR 164 CO 0.05 -0.19 0.31 0.26 -0.54 0.00 0.00 174.62 174.50 1kno s TRP 165 N -0.89 3.28 -0.60 3.99 0.52 -1.25 -1.57 118.94 122.41 1kno s TRP 165 Ca -0.10 -1.13 -0.03 0.00 0.02 0.00 0.00 56.10 54.86 1kno s TRP 165 Cb -0.04 -2.93 -0.03 0.00 -1.15 0.00 0.00 33.47 29.31 1kno s TRP 165 CO 0.03 -0.78 0.52 0.09 0.02 0.00 0.00 176.95 176.84 1kno n ASN 170 N 5.06 -4.21 -1.54 2.95 3.02 -0.33 -1.09 115.26 119.12 1kno n ASN 170 Ca -0.11 -0.39 -0.06 0.00 -0.03 0.00 0.00 54.58 53.98 1kno n ASN 170 Cb 0.44 -3.14 -0.02 0.00 -0.61 0.00 0.00 39.78 36.44 1kno n ASN 170 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1kno n SER 171 N -2.43 -1.91 0.00 6.41 7.64 -1.26 -0.03 113.62 122.04 1kno n SER 171 Ca -0.06 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1kno n SER 171 Cb 0.57 -1.93 0.00 0.00 -1.01 0.00 0.00 64.21 61.84 1kno n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kno n GLY 172 N -0.27 3.28 0.01 0.23 0.00 -1.21 -5.00 105.19 102.24 1kno n GLY 172 Ca -0.07 -0.94 -0.00 0.00 0.00 0.00 0.00 46.02 45.01 1kno n GLY 172 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kno n SER 173 N 0.11 -0.03 -4.61 1.61 7.64 0.96 -3.32 113.62 115.98 1kno n SER 173 Ca 0.00 0.23 -0.43 0.00 1.01 0.00 0.00 58.87 59.68 1kno n SER 173 Cb 0.00 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 1kno n SER 173 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1kno s LEU 174 N -5.00 3.71 -0.01 -3.43 2.96 -0.25 -4.76 118.68 111.90 1kno s LEU 174 Ca -0.00 0.85 0.02 0.00 -0.22 0.00 0.00 54.13 54.77 1kno s LEU 174 Cb 0.00 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.17 1kno s LEU 174 CO 0.02 -1.24 0.95 -1.54 -1.32 0.00 0.00 176.35 173.22 1kno n SER 175 N 8.07 0.23 -3.87 3.68 3.41 -1.21 -3.85 113.62 120.06 1kno n SER 175 Ca 0.14 -1.97 -0.21 0.00 -0.26 0.00 0.00 58.87 56.57 1kno n SER 175 Cb 0.48 -0.19 -0.17 0.00 -0.26 0.00 0.00 64.21 64.07 1kno n SER 175 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1kno s SER 176 N -1.04 1.09 0.00 4.04 0.15 -1.26 -4.70 113.70 111.98 1kno s SER 176 Ca 0.03 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1kno s SER 176 Cb 0.02 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1kno s SER 176 CO 0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1kno n GLY 177 N 4.25 0.70 3.87 9.45 0.00 -1.26 -4.70 105.19 117.50 1kno n GLY 177 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1kno n GLY 177 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kno s VAL 179 N -2.01 5.26 -0.28 1.61 -7.23 -1.26 -0.36 120.40 116.13 1kno s VAL 179 Ca 0.00 0.36 -0.01 0.00 -1.81 0.00 0.00 61.98 60.53 1kno s VAL 179 Cb 0.00 -3.57 0.09 0.00 0.56 0.00 0.00 36.38 33.46 1kno s VAL 179 CO 0.00 0.46 0.07 -1.00 -0.31 0.00 0.00 175.10 174.32 1kno s HIS 180 N -1.20 1.83 -0.24 2.82 3.76 -0.50 -4.93 115.29 116.84 1kno s HIS 180 Ca 0.24 -1.69 -0.14 0.00 -0.15 0.00 0.00 55.06 53.33 1kno s HIS 180 Cb -0.14 -1.68 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 1kno s HIS 180 CO 0.13 -0.83 0.30 0.99 -0.85 0.00 0.00 174.74 174.49 1kno s THR 181 N 1.58 5.25 0.40 1.30 2.01 -1.26 -0.01 115.64 124.91 1kno s THR 181 Ca 0.06 0.47 -0.16 0.00 0.31 0.00 0.00 61.69 62.38 1kno s THR 181 Cb -0.18 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.61 1kno s THR 181 CO -0.19 0.25 0.84 -0.36 -0.69 0.00 0.00 174.62 174.47 1kno s PHE 182 N 1.49 3.39 0.48 4.92 0.40 -0.03 -4.98 117.98 123.66 1kno s PHE 182 Ca 0.14 1.31 -0.22 0.00 -0.60 0.00 0.00 56.93 57.55 1kno s PHE 182 Cb -0.15 -2.63 -0.07 0.00 0.51 0.00 0.00 43.02 40.68 1kno s PHE 182 CO 0.08 -0.09 1.20 -1.25 0.70 0.00 0.00 175.22 175.86 1kno s PRO 183 N -3.43 3.62 0.70 0.24 0.04 -1.26 -4.36 135.00 130.55 1kno s PRO 183 Ca 0.56 1.85 -0.14 0.00 0.04 0.00 0.00 61.00 63.31 1kno s PRO 183 Cb -0.10 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 32.11 1kno s PRO 183 CO 0.22 -0.69 1.13 0.00 0.04 0.00 0.00 177.00 177.70 1kno s ALA 184 N -1.52 2.32 -0.00 8.56 0.00 -1.26 -4.82 121.76 125.04 1kno s ALA 184 Ca 0.66 0.59 0.05 0.00 0.00 0.00 0.00 51.96 53.25 1kno s ALA 184 Cb -0.30 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 1kno s ALA 184 CO 0.36 -1.53 -0.15 0.08 0.00 0.00 0.00 175.76 174.53 1kno s VAL 185 N -2.34 1.15 -0.19 0.00 1.01 -0.58 -4.94 120.40 114.51 1kno s VAL 185 Ca 0.68 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 1kno s VAL 185 Cb -0.22 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1kno s VAL 185 CO 0.45 0.27 0.36 -0.22 0.00 0.00 0.00 175.10 175.95 1kno s LEU 186 N -0.48 4.19 -0.08 3.92 2.96 -1.26 -1.86 118.68 126.06 1kno s LEU 186 Ca 0.05 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 1kno s LEU 186 Cb -0.06 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.19 1kno s LEU 186 CO -0.00 -0.01 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.36 1kno s GLN 187 N 1.01 1.36 6.69 1.98 2.00 0.31 -4.95 119.66 128.05 1kno s GLN 187 Ca 0.18 -0.24 0.00 0.00 -2.00 0.00 0.00 55.36 53.30 1kno s GLN 187 Cb -0.14 -1.32 0.00 0.00 0.80 0.00 0.00 33.01 32.35 1kno s GLN 187 CO 0.07 -0.13 0.00 0.43 -0.50 0.00 0.00 175.29 175.15 1kno n SER 188 N 4.40 0.00 -2.53 6.67 7.64 -1.26 -0.95 113.62 127.59 1kno n SER 188 Ca -0.18 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.58 1kno n SER 188 Cb 0.51 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1kno n SER 188 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1kno n ASP 191 N 10.97 2.90 -4.14 6.43 9.92 -1.26 -5.05 116.55 136.31 1kno n ASP 191 Ca 0.00 -2.86 -0.11 0.00 -0.53 0.00 0.00 54.79 51.29 1kno n ASP 191 Cb 0.00 -0.45 -0.09 0.00 -0.64 0.00 0.00 41.12 39.94 1kno n ASP 191 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1kno s LEU 192 N -3.58 1.33 0.19 0.64 1.43 -0.13 -4.78 118.68 113.78 1kno s LEU 192 Ca 0.36 -1.22 0.11 0.00 -1.03 0.00 0.00 54.13 52.35 1kno s LEU 192 Cb 0.38 0.54 -0.04 0.00 0.03 0.00 0.00 46.19 47.10 1kno s LEU 192 CO -0.02 -0.82 -0.23 -0.31 0.23 0.00 0.00 176.35 175.20 1kno s TYR 193 N -4.08 2.23 -0.08 0.29 2.02 0.23 -0.53 117.35 117.43 1kno s TYR 193 Ca 0.29 -0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 1kno s TYR 193 Cb 0.06 -1.10 0.03 0.00 -0.40 0.00 0.00 41.96 40.55 1kno s TYR 193 CO 0.06 0.49 0.21 0.99 -1.57 0.00 0.00 175.55 175.73 1kno s THR 194 N -1.78 -0.01 -0.04 -0.71 2.01 -0.78 -0.75 115.64 113.59 1kno s THR 194 Ca 0.21 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 1kno s THR 194 Cb -0.07 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.15 1kno s THR 194 CO 0.10 0.02 0.23 -0.22 -0.69 0.00 0.00 174.62 174.06 1kno s LEU 195 N 0.44 1.15 0.05 4.42 0.20 0.16 -1.52 118.68 123.59 1kno s LEU 195 Ca -0.03 0.14 -0.00 0.00 0.69 0.00 0.00 54.13 54.93 1kno s LEU 195 Cb -0.04 0.93 -0.04 0.00 -0.43 0.00 0.00 46.19 46.61 1kno s LEU 195 CO -0.02 -0.29 -0.04 -0.94 -0.29 0.00 0.00 176.35 174.77 1kno s SER 196 N -0.82 0.59 -0.03 3.68 1.04 -1.26 -0.23 113.70 116.67 1kno s SER 196 Ca -0.09 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.47 1kno s SER 196 Cb -0.05 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1kno s SER 196 CO 0.02 -0.50 -0.04 -0.55 0.98 0.00 0.00 173.24 173.15 1kno s SER 197 N -2.59 0.71 0.56 7.02 0.15 -0.80 -0.85 113.70 117.89 1kno s SER 197 Ca 0.03 -0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.66 1kno s SER 197 Cb 0.03 -0.27 0.08 0.00 -1.71 0.00 0.00 66.02 64.15 1kno s SER 197 CO -0.07 -0.02 0.77 -0.94 1.20 0.00 0.00 173.24 174.18 1kno s SER 198 N 0.57 5.14 -0.28 5.45 1.04 0.99 -0.66 113.70 125.94 1kno s SER 198 Ca -0.07 -0.71 -0.25 0.00 0.48 0.00 0.00 55.95 55.40 1kno s SER 198 Cb -0.10 0.07 0.15 0.00 0.10 0.00 0.00 66.02 66.24 1kno s SER 198 CO -0.00 -1.28 1.21 0.54 0.98 0.00 0.00 173.24 174.69 1kno s VAL 199 N -2.65 0.00 -0.04 5.02 0.11 -0.58 -1.41 120.40 120.85 1kno s VAL 199 Ca 0.61 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.71 1kno s VAL 199 Cb -0.07 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1kno s VAL 199 CO 0.38 0.00 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.06 1kno s THR 200 N 0.04 1.63 0.22 5.04 2.01 0.51 -1.32 115.64 123.77 1kno s THR 200 Ca 0.05 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1kno s THR 200 Cb -0.05 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 1kno s THR 200 CO -0.10 0.46 0.00 0.68 -0.69 0.00 0.00 174.62 174.98 1kno s VAL 201 N -0.18 0.92 0.42 3.82 -7.23 -0.94 -4.63 120.40 112.57 1kno s VAL 201 Ca 0.00 -2.02 -0.23 0.00 -1.81 0.00 0.00 61.98 57.92 1kno s VAL 201 Cb -0.11 -2.30 -0.09 0.00 0.56 0.00 0.00 36.38 34.45 1kno s VAL 201 CO 0.02 -0.35 1.04 0.42 -0.31 0.00 0.00 175.10 175.92 1kno s THR 202 N -3.50 3.77 0.05 5.32 -4.23 -1.26 -1.07 115.64 114.73 1kno s THR 202 Ca 0.28 1.30 -0.11 0.00 -1.18 0.00 0.00 61.69 61.98 1kno s THR 202 Cb 0.06 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.24 1kno s THR 202 CO 0.08 -0.05 0.86 -1.20 -0.54 0.00 0.00 174.62 173.76 1kno n SER 203 N -0.26 -0.36 -0.36 3.99 7.64 -1.12 -0.49 113.62 122.67 1kno n SER 203 Ca 0.06 0.94 0.04 0.00 1.01 0.00 0.00 58.87 60.92 1kno n SER 203 Cb 0.50 -0.25 0.11 0.00 -1.01 0.00 0.00 64.21 63.56 1kno n SER 203 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1kno n SER 204 N -3.76 -0.44 -0.28 6.43 3.41 -1.26 -1.09 113.62 116.63 1kno n SER 204 Ca 0.01 1.69 0.09 0.00 -0.26 0.00 0.00 58.87 60.39 1kno n SER 204 Cb 0.09 -0.47 0.23 0.00 -0.26 0.00 0.00 64.21 63.80 1kno n SER 204 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1kno h THR 206 N 0.00 0.39 -4.26 6.66 2.02 -1.15 -3.26 112.91 113.31 1kno h THR 206 Ca 0.43 -0.07 -0.69 0.00 0.77 0.00 0.00 66.41 66.84 1kno h THR 206 Cb 0.67 0.15 -0.31 0.00 -1.74 0.00 0.00 68.15 66.93 1kno h THR 206 CO -0.99 0.04 -0.88 0.86 0.37 0.00 0.00 175.52 174.91 1kno s TRP 207 N -6.01 2.40 -0.34 3.16 -0.00 -0.25 0.80 118.94 118.70 1kno s TRP 207 Ca -0.13 -0.59 0.02 0.00 -0.00 0.00 0.00 56.10 55.40 1kno s TRP 207 Cb 0.24 -1.56 0.45 0.00 -0.00 0.00 0.00 33.47 32.60 1kno s TRP 207 CO 0.76 -0.14 1.71 -0.35 -0.00 0.00 0.00 176.95 178.93 1kno n PRO 208 N 2.73 1.93 0.06 5.86 -0.04 -1.26 -4.80 135.00 139.48 1kno n PRO 208 Ca -0.17 -2.17 -0.01 0.00 -0.04 0.00 0.00 63.50 61.11 1kno n PRO 208 Cb 0.52 -1.85 0.26 0.00 -0.04 0.00 0.00 33.50 32.39 1kno n PRO 208 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1kno h SER 210 N 0.85 0.35 -1.03 3.54 0.02 -1.45 -3.43 113.55 112.40 1kno h SER 210 Ca 0.45 -0.11 -0.55 0.00 -0.84 0.00 0.00 61.79 60.74 1kno h SER 210 Cb 2.13 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 64.53 1kno h SER 210 CO 0.84 0.60 -0.36 -1.10 -1.14 0.00 0.00 176.83 175.67 1kno s GLN 211 N -4.50 2.33 -0.23 3.45 1.11 0.24 -5.08 119.66 116.98 1kno s GLN 211 Ca -0.06 -1.85 0.01 0.00 0.01 0.00 0.00 55.36 53.47 1kno s GLN 211 Cb 0.14 -2.16 0.04 0.00 -1.01 0.00 0.00 33.01 30.02 1kno s GLN 211 CO 0.77 -0.41 -0.13 -1.54 0.01 0.00 0.00 175.29 173.99 1kno s SER 212 N -4.17 3.97 -0.15 5.90 1.04 -1.26 -4.72 113.70 114.30 1kno s SER 212 Ca 0.39 -1.00 -0.09 0.00 0.48 0.00 0.00 55.95 55.74 1kno s SER 212 Cb -0.01 -1.56 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 1kno s SER 212 CO 0.23 -0.11 0.15 -0.63 0.98 0.00 0.00 173.24 173.87 1kno s ILE 213 N 1.23 5.45 -0.00 -1.02 1.01 -1.26 -4.95 121.20 121.65 1kno s ILE 213 Ca -0.02 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.88 1kno s ILE 213 Cb -0.17 -3.45 -0.00 0.00 0.01 0.00 0.00 42.46 38.85 1kno s ILE 213 CO -0.08 0.54 -0.03 -0.89 0.00 0.00 0.00 174.94 174.49 1kno s THR 214 N -0.46 0.23 -0.24 2.92 2.01 -1.26 -2.53 115.64 116.30 1kno s THR 214 Ca 0.13 -0.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.83 1kno s THR 214 Cb -0.12 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1kno s THR 214 CO 0.02 0.07 0.53 0.00 -0.69 0.00 0.00 174.62 174.54 1kno s ASN 217 N 1.38 4.93 0.01 0.00 -0.87 -0.61 0.90 114.94 120.68 1kno s ASN 217 Ca 0.23 -1.91 0.02 0.00 -1.57 0.00 0.00 52.86 49.62 1kno s ASN 217 Cb -0.16 -1.70 -0.04 0.00 -0.02 0.00 0.00 41.25 39.33 1kno s ASN 217 CO 0.09 -0.40 0.02 -0.69 -2.57 0.00 0.00 177.10 173.55 1kno s VAL 218 N 1.05 4.24 -0.22 1.60 1.01 0.50 -1.76 120.40 126.83 1kno s VAL 218 Ca 0.06 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1kno s VAL 218 Cb -0.21 -2.92 0.10 0.00 0.00 0.00 0.00 36.38 33.35 1kno s VAL 218 CO -0.05 0.33 0.23 0.00 0.00 0.00 0.00 175.10 175.60 1kno s ALA 219 N -1.14 -0.24 -0.71 5.51 0.00 -0.18 0.22 121.76 125.22 1kno s ALA 219 Ca 0.21 0.08 -0.24 0.00 0.00 0.00 0.00 51.96 52.01 1kno s ALA 219 Cb -0.12 -1.40 0.06 0.00 0.00 0.00 0.00 23.12 21.66 1kno s ALA 219 CO 0.12 -1.32 1.11 -1.58 0.00 0.00 0.00 175.76 174.10 1kno s HIS 220 N 2.32 2.53 0.01 0.00 2.46 0.21 -1.89 115.29 120.92 1kno s HIS 220 Ca 0.07 -0.40 -0.05 0.00 0.47 0.00 0.00 55.06 55.16 1kno s HIS 220 Cb -0.15 -4.44 -0.02 0.00 -0.13 0.00 0.00 32.58 27.84 1kno s HIS 220 CO -0.17 -1.82 1.07 -1.35 -2.47 0.00 0.00 174.74 170.00 1kno h PRO 221 N 9.73 -0.09 0.00 2.88 0.11 -1.77 -0.99 132.00 141.87 1kno h PRO 221 Ca -0.25 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1kno h PRO 221 Cb 1.06 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1kno h PRO 221 CO 1.23 -0.06 0.17 0.00 -0.21 0.00 0.00 178.00 179.13 1kno n ALA 222 N -2.54 0.41 -0.65 -0.75 0.00 -1.26 0.36 120.51 116.07 1kno n ALA 222 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1kno n ALA 222 Cb 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1kno n ALA 222 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1kno n SER 223 N -0.92 0.65 -3.58 0.00 3.41 -1.07 -4.96 113.62 107.16 1kno n SER 223 Ca 0.00 -1.30 -0.19 0.00 -0.26 0.00 0.00 58.87 57.11 1kno n SER 223 Cb 0.17 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1kno n SER 223 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kno n SER 224 N -0.15 -1.57 -4.22 4.04 7.64 0.16 -4.94 113.62 114.57 1kno n SER 224 Ca 0.00 -0.73 -0.33 0.00 1.01 0.00 0.00 58.87 58.82 1kno n SER 224 Cb 0.38 -4.55 -0.15 0.00 -1.01 0.00 0.00 64.21 58.88 1kno n SER 224 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1kno s THR 225 N -3.53 2.51 -0.03 0.44 2.01 -0.40 -5.00 115.64 111.65 1kno s THR 225 Ca 0.00 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1kno s THR 225 Cb -0.00 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.47 1kno s THR 225 CO 0.77 0.52 -0.02 -0.75 -0.69 0.00 0.00 174.62 174.46 1kno s LYS 226 N 0.98 0.41 0.17 4.92 2.36 -1.26 0.63 119.74 127.95 1kno s LYS 226 Ca -0.02 -0.00 -0.09 0.00 -2.55 0.00 0.00 55.97 53.30 1kno s LYS 226 Cb -0.15 -0.52 -0.01 0.00 -1.05 0.00 0.00 37.83 36.11 1kno s LYS 226 CO -0.03 -0.08 0.30 0.14 1.55 0.00 0.00 175.35 177.22 1kno s VAL 227 N 0.79 0.06 -0.08 4.02 -7.23 0.13 -4.99 120.40 113.11 1kno s VAL 227 Ca -0.09 -1.38 -0.07 0.00 -1.81 0.00 0.00 61.98 58.63 1kno s VAL 227 Cb -0.12 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 34.98 1kno s VAL 227 CO -0.01 -0.27 0.21 -1.81 -0.31 0.00 0.00 175.10 172.91 1kno s ASP 228 N -2.97 -0.22 -0.17 4.85 1.11 -1.24 -0.37 116.67 117.66 1kno s ASP 228 Ca 0.18 0.42 0.01 0.00 0.18 0.00 0.00 52.55 53.34 1kno s ASP 228 Cb 0.03 0.42 0.03 0.00 1.07 0.00 0.00 42.92 44.47 1kno s ASP 228 CO 0.01 -0.08 -0.13 -0.54 1.18 0.00 0.00 175.17 175.61 1kno s LYS 229 N 0.18 2.26 -0.65 8.23 3.01 0.26 -4.91 119.74 128.11 1kno s LYS 229 Ca -0.01 -0.69 -0.27 0.00 -1.01 0.00 0.00 55.97 53.99 1kno s LYS 229 Cb -0.02 -2.26 0.02 0.00 -1.01 0.00 0.00 37.83 34.56 1kno s LYS 229 CO -0.00 -0.30 1.38 0.21 0.51 0.00 0.00 175.35 177.14 1kno s LYS 230 N 1.44 3.20 -0.92 1.68 2.36 -1.26 -1.18 119.74 125.06 1kno s LYS 230 Ca 0.03 0.14 -0.24 0.00 -2.55 0.00 0.00 55.97 53.35 1kno s LYS 230 Cb -0.14 -4.17 -0.17 0.00 -1.05 0.00 0.00 37.83 32.30 1kno s LYS 230 CO -0.10 -2.09 1.92 -0.89 1.55 0.00 0.00 175.35 175.74 1kno n ILE 231 N 6.67 1.31 -3.02 5.43 2.08 -1.05 -4.91 119.36 125.87 1kno n ILE 231 Ca 0.09 -1.29 -0.39 0.00 0.56 0.00 0.00 62.75 61.73 1kno n ILE 231 Cb 0.49 -2.16 -0.06 0.00 -0.75 0.00 0.00 39.64 37.17 1kno n ILE 231 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1kno s GLU 232 N 6.55 4.48 0.87 0.38 2.02 -1.26 -4.84 118.70 126.89 1kno s GLU 232 Ca 0.68 1.08 -0.11 0.00 0.02 0.00 0.00 54.97 56.64 1kno s GLU 232 Cb 0.04 -3.17 0.11 0.00 0.10 0.00 0.00 34.13 31.22 1kno s GLU 232 CO 0.17 0.53 1.09 -2.14 0.02 0.00 0.00 175.26 174.94 1kno s PRO 233 N -1.33 1.47 0.00 0.39 0.02 -1.26 -4.67 135.00 129.61 1kno s PRO 233 Ca 0.37 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.40 1kno s PRO 233 Cb -0.21 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1kno s PRO 233 CO 0.25 -2.15 0.00 -2.13 -0.33 0.00 0.00 177.00 172.64 1kno n ARG 234 N -3.85 0.00 0.00 5.54 0.00 -1.26 -5.11 116.66 111.98 1kno n ARG 234 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1kno n ARG 234 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 1kno n ARG 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04