#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfa s LEU 4 N 0.00 2.63 -0.22 3.17 1.43 -1.26 -1.68 118.68 122.76 1kfa s LEU 4 Ca 0.00 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1kfa s LEU 4 Cb 0.00 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.65 1kfa s LEU 4 CO 0.00 0.08 -0.10 -0.69 0.23 0.00 0.00 176.35 175.86 1kfa s VAL 5 N 0.86 1.78 0.44 -1.59 1.01 0.12 -3.57 120.40 119.45 1kfa s VAL 5 Ca -0.03 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.69 1kfa s VAL 5 Cb -0.15 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1kfa s VAL 5 CO -0.00 0.10 0.74 -1.61 0.00 0.00 0.00 175.10 174.34 1kfa s GLU 6 N 1.32 3.61 0.19 2.72 8.01 -1.26 0.93 118.70 134.22 1kfa s GLU 6 Ca -0.03 0.22 -0.24 0.00 0.01 0.00 0.00 54.97 54.92 1kfa s GLU 6 Cb -0.17 -2.42 0.05 0.00 -4.31 0.00 0.00 34.13 27.27 1kfa s GLU 6 CO -0.07 -0.10 0.89 -1.54 0.01 0.00 0.00 175.26 174.44 1kfa s SER 7 N -3.77 -0.20 0.00 -0.19 1.04 0.84 -4.80 113.70 106.61 1kfa s SER 7 Ca 0.48 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1kfa s SER 7 Cb -0.10 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1kfa s SER 7 CO 0.39 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1kfa n GLY 8 N -0.47 1.42 3.45 7.32 0.00 -1.26 -0.75 105.19 114.90 1kfa n GLY 8 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1kfa n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfa n GLY 9 N -1.61 -1.61 3.33 -0.02 0.00 -1.26 -4.79 105.19 99.24 1kfa n GLY 9 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.96 1kfa n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfa n GLY 10 N 1.83 0.14 3.53 -0.02 0.00 -0.40 -4.91 105.19 105.35 1kfa n GLY 10 Ca 0.11 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1kfa n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kfa s LEU 11 N 0.00 3.84 0.06 0.99 2.96 -1.26 -1.20 118.68 124.08 1kfa s LEU 11 Ca 0.27 -0.14 0.09 0.00 -0.22 0.00 0.00 54.13 54.13 1kfa s LEU 11 Cb -0.00 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1kfa s LEU 11 CO -0.02 -0.06 -0.25 0.68 -1.32 0.00 0.00 176.35 175.38 1kfa s VAL 12 N 1.70 2.01 0.50 1.68 -7.23 0.09 -4.98 120.40 114.17 1kfa s VAL 12 Ca 0.07 -1.40 -0.19 0.00 -1.81 0.00 0.00 61.98 58.65 1kfa s VAL 12 Cb -0.16 -1.74 -0.08 0.00 0.56 0.00 0.00 36.38 34.96 1kfa s VAL 12 CO 0.08 0.26 1.01 -0.54 -0.31 0.00 0.00 175.10 175.60 1kfa s LYS 13 N -1.38 3.85 0.19 4.82 1.02 -1.26 -1.49 119.74 125.50 1kfa s LYS 13 Ca 0.11 1.17 -0.33 0.00 0.02 0.00 0.00 55.97 56.94 1kfa s LYS 13 Cb -0.10 -2.11 -0.14 0.00 -0.52 0.00 0.00 37.83 34.96 1kfa s LYS 13 CO 0.03 -0.36 1.43 -2.30 -0.92 0.00 0.00 175.35 173.23 1kfa n PRO 14 N -1.25 1.91 0.00 -1.68 -0.02 -1.26 -0.97 135.00 131.73 1kfa n PRO 14 Ca 0.08 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1kfa n PRO 14 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1kfa n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kfa n GLY 15 N 2.58 1.19 1.14 -1.23 0.00 0.12 -4.94 105.19 104.06 1kfa n GLY 15 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1kfa n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfa n GLY 16 N -2.00 -1.31 3.03 -0.02 0.00 -0.14 -3.86 105.19 100.88 1kfa n GLY 16 Ca 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 1kfa n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kfa s SER 17 N -2.45 0.62 0.03 1.61 1.04 -1.26 -1.73 113.70 111.56 1kfa s SER 17 Ca 0.22 -0.53 -0.00 0.00 0.48 0.00 0.00 55.95 56.13 1kfa s SER 17 Cb -0.01 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 1kfa s SER 17 CO 0.16 -0.24 -0.03 -0.22 0.98 0.00 0.00 173.24 173.89 1kfa s LEU 18 N -1.52 2.30 -0.20 2.42 2.96 -0.53 -4.99 118.68 119.13 1kfa s LEU 18 Ca -0.12 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 1kfa s LEU 18 Cb -0.10 0.11 0.04 0.00 0.50 0.00 0.00 46.19 46.73 1kfa s LEU 18 CO -0.00 -0.37 -0.14 -0.75 -1.32 0.00 0.00 176.35 173.77 1kfa s LYS 19 N -2.06 2.40 0.24 1.98 2.20 -1.26 -0.38 119.74 122.85 1kfa s LYS 19 Ca -0.10 -0.92 -0.02 0.00 -0.36 0.00 0.00 55.97 54.58 1kfa s LYS 19 Cb -0.06 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 1kfa s LYS 19 CO -0.03 -0.37 0.44 -0.51 -0.36 0.00 0.00 175.35 174.52 1kfa s LEU 20 N 1.31 4.17 0.08 5.43 1.02 -0.26 -4.64 118.68 125.79 1kfa s LEU 20 Ca -0.00 0.48 0.04 0.00 0.02 0.00 0.00 54.13 54.66 1kfa s LEU 20 Cb -0.16 -3.26 -0.03 0.00 0.02 0.00 0.00 46.19 42.76 1kfa s LEU 20 CO -0.09 -0.10 -0.10 -0.55 0.02 0.00 0.00 176.35 175.52 1kfa s SER 21 N -3.25 1.36 -0.22 2.29 0.15 0.07 -1.26 113.70 112.83 1kfa s SER 21 Ca 0.40 -0.73 -0.04 0.00 0.70 0.00 0.00 55.95 56.28 1kfa s SER 21 Cb -0.11 0.01 0.09 0.00 -1.71 0.00 0.00 66.02 64.30 1kfa s SER 21 CO 0.30 -0.23 0.18 0.00 1.20 0.00 0.00 173.24 174.69 1kfa s ALA 23 N 2.25 3.29 0.03 0.00 0.00 0.26 -2.42 121.76 125.18 1kfa s ALA 23 Ca 0.06 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.33 1kfa s ALA 23 Cb -0.16 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1kfa s ALA 23 CO -0.18 -0.14 -0.20 0.00 0.00 0.00 0.00 175.76 175.24 1kfa s ALA 24 N 0.85 2.50 0.13 0.00 0.00 -1.05 0.12 121.76 124.32 1kfa s ALA 24 Ca 0.41 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.96 1kfa s ALA 24 Cb -0.19 -0.68 0.06 0.00 0.00 0.00 0.00 23.12 22.31 1kfa s ALA 24 CO 0.21 0.56 0.56 -1.54 0.00 0.00 0.00 175.76 175.55 1kfa s SER 25 N -1.32 -0.50 0.00 0.00 1.04 -0.67 -4.90 113.70 107.35 1kfa s SER 25 Ca 0.14 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1kfa s SER 25 Cb -0.10 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1kfa s SER 25 CO 0.04 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1kfa n GLY 26 N -0.22 0.92 3.56 7.32 0.00 -1.26 -1.58 105.19 113.94 1kfa n GLY 26 Ca -0.17 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.83 1kfa n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kfa s PHE 27 N -2.00 -0.01 -0.75 1.61 -0.71 -1.26 -4.96 117.98 109.90 1kfa s PHE 27 Ca 0.00 -0.01 -0.26 0.00 -1.04 0.00 0.00 56.93 55.62 1kfa s PHE 27 Cb 0.00 0.51 0.02 0.00 -1.21 0.00 0.00 43.02 42.34 1kfa s PHE 27 CO 0.00 -0.05 1.42 0.99 -1.34 0.00 0.00 175.22 176.25 1kfa s THR 28 N -2.07 3.67 0.26 -4.49 2.01 -1.26 -4.87 115.64 108.88 1kfa s THR 28 Ca 0.15 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.34 1kfa s THR 28 Cb 0.07 -4.73 0.25 0.00 0.01 0.00 0.00 72.50 68.10 1kfa s THR 28 CO -0.06 -1.67 1.84 0.15 -0.69 0.00 0.00 174.62 174.19 1kfa h PHE 29 N 10.94 1.05 0.00 4.92 3.57 -1.95 -2.99 116.94 132.48 1kfa h PHE 29 Ca -0.21 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 1kfa h PHE 29 Cb 1.06 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1kfa h PHE 29 CO 1.13 0.48 -0.03 0.66 -2.23 0.00 0.00 178.31 178.33 1kfa h SER 30 N 0.99 0.00 -0.94 0.41 4.64 -1.90 -3.16 113.55 113.59 1kfa h SER 30 Ca 0.43 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.20 1kfa h SER 30 Cb 0.30 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.10 1kfa h SER 30 CO -0.22 0.03 0.63 -1.54 -0.87 0.00 0.00 176.83 174.86 1kfa n SER 31 N -3.14 5.13 -3.82 4.97 3.41 -1.13 -4.80 113.62 114.24 1kfa n SER 31 Ca 0.00 -3.70 -0.12 0.00 -0.26 0.00 0.00 58.87 54.79 1kfa n SER 31 Cb 0.29 -0.86 -0.13 0.00 -0.26 0.00 0.00 64.21 63.26 1kfa n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1kfa s TYR 32 N -3.50 -0.15 0.36 7.33 1.51 -1.19 -4.99 117.35 116.72 1kfa s TYR 32 Ca 0.59 0.38 -0.24 0.00 -1.01 0.00 0.00 57.07 56.80 1kfa s TYR 32 Cb 0.48 0.04 -0.10 0.00 -0.11 0.00 0.00 41.96 42.27 1kfa s TYR 32 CO 0.05 -0.08 0.93 0.00 -1.11 0.00 0.00 175.55 175.35 1kfa s ALA 33 N 0.18 3.15 0.15 3.71 0.00 -1.26 -4.43 121.76 123.26 1kfa s ALA 33 Ca -0.01 0.45 0.08 0.00 0.00 0.00 0.00 51.96 52.48 1kfa s ALA 33 Cb -0.02 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1kfa s ALA 33 CO -0.00 0.16 -0.19 -1.64 0.00 0.00 0.00 175.76 174.09 1kfa s MET 34 N -2.54 1.24 0.10 0.00 1.00 -0.19 -1.67 119.30 117.25 1kfa s MET 34 Ca 0.55 -1.36 0.00 0.00 0.00 0.00 0.00 55.69 54.88 1kfa s MET 34 Cb -0.14 -1.33 -0.04 0.00 0.00 0.00 0.00 34.83 33.32 1kfa s MET 34 CO 0.19 0.28 -0.02 -1.12 0.00 0.00 0.00 175.02 174.35 1kfa s SER 35 N -2.53 0.78 -0.10 3.03 0.01 -0.29 -0.42 113.70 114.18 1kfa s SER 35 Ca 0.14 -1.07 0.04 0.00 1.31 0.00 0.00 55.95 56.37 1kfa s SER 35 Cb -0.06 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1kfa s SER 35 CO 0.06 -0.58 -0.24 0.26 0.41 0.00 0.00 173.24 173.16 1kfa s TRP 36 N -3.81 2.54 0.04 2.43 0.52 0.17 -0.45 118.94 120.38 1kfa s TRP 36 Ca 0.15 -1.06 0.06 0.00 0.02 0.00 0.00 56.10 55.26 1kfa s TRP 36 Cb 0.07 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1kfa s TRP 36 CO -0.04 -0.43 -0.17 0.08 0.02 0.00 0.00 176.95 176.41 1kfa s VAL 37 N 0.39 1.36 0.18 4.03 1.01 -0.25 -0.95 120.40 126.17 1kfa s VAL 37 Ca -0.18 -1.09 0.11 0.00 0.00 0.00 0.00 61.98 60.81 1kfa s VAL 37 Cb -0.18 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1kfa s VAL 37 CO 0.08 0.09 -0.20 0.00 0.00 0.00 0.00 175.10 175.07 1kfa s ARG 38 N -1.17 1.67 -0.30 2.72 1.70 -0.49 -0.27 118.95 122.81 1kfa s ARG 38 Ca 0.04 -1.41 0.03 0.00 -0.47 0.00 0.00 55.73 53.92 1kfa s ARG 38 Cb -0.08 -1.95 0.08 0.00 -0.57 0.00 0.00 34.95 32.42 1kfa s ARG 38 CO 0.02 0.42 -0.02 -1.14 -1.08 0.00 0.00 175.30 173.50 1kfa s GLN 39 N -2.60 1.94 0.82 3.89 0.74 0.41 -1.11 119.66 123.74 1kfa s GLN 39 Ca 0.21 -1.58 -0.13 0.00 0.05 0.00 0.00 55.36 53.90 1kfa s GLN 39 Cb -0.09 -3.08 0.07 0.00 1.10 0.00 0.00 33.01 31.01 1kfa s GLN 39 CO 0.11 -0.75 1.07 0.25 -0.55 0.00 0.00 175.29 175.42 1kfa n THR 40 N 4.38 1.73 0.11 -0.34 -2.24 -0.11 -2.22 114.28 115.59 1kfa n THR 40 Ca -0.06 -0.21 0.06 0.00 -2.27 0.00 0.00 64.05 61.57 1kfa n THR 40 Cb 0.42 -1.10 0.31 0.00 -2.10 0.00 0.00 70.33 67.87 1kfa n THR 40 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1kfa n PRO 41 N -2.98 0.07 -0.00 -0.78 -0.02 -1.26 0.13 135.00 130.16 1kfa n PRO 41 Ca 0.13 0.56 0.15 0.00 -2.02 0.00 0.00 63.50 62.31 1kfa n PRO 41 Cb 0.51 -1.74 0.69 0.00 -0.02 0.00 0.00 33.50 32.94 1kfa n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1kfa n GLU 42 N -1.90 1.40 -1.12 -0.52 4.71 -1.26 -4.89 120.64 117.07 1kfa n GLU 42 Ca -0.00 -0.58 -0.04 0.00 -0.01 0.00 0.00 57.16 56.53 1kfa n GLU 42 Cb 0.03 -1.48 -0.02 0.00 -1.01 0.00 0.00 31.44 28.96 1kfa n GLU 42 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1kfa n ARG 43 N -0.29 -0.34 -3.25 3.49 5.12 0.34 -5.02 116.66 116.71 1kfa n ARG 43 Ca 0.21 0.58 -0.39 0.00 -1.93 0.00 0.00 57.85 56.33 1kfa n ARG 43 Cb 0.26 -4.23 -0.06 0.00 -1.16 0.00 0.00 32.46 27.27 1kfa n ARG 43 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1kfa s ARG 44 N -2.11 4.30 -0.15 5.56 0.52 -1.23 -4.82 118.95 121.02 1kfa s ARG 44 Ca 0.00 0.64 -0.19 0.00 -0.52 0.00 0.00 55.73 55.66 1kfa s ARG 44 Cb 0.00 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 1kfa s ARG 44 CO 0.00 0.31 0.52 -0.51 0.02 0.00 0.00 175.30 175.63 1kfa s LEU 45 N 0.06 4.23 -0.10 2.53 1.43 -1.26 -0.94 118.68 124.64 1kfa s LEU 45 Ca 0.29 0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 54.17 1kfa s LEU 45 Cb -0.17 -2.74 0.04 0.00 0.03 0.00 0.00 46.19 43.35 1kfa s LEU 45 CO 0.15 -0.08 0.02 -1.61 0.23 0.00 0.00 176.35 175.05 1kfa s GLU 46 N 1.05 0.51 0.45 1.70 2.02 -0.27 -4.98 118.70 119.18 1kfa s GLU 46 Ca 0.26 0.03 -0.25 0.00 0.02 0.00 0.00 54.97 55.04 1kfa s GLU 46 Cb -0.15 -1.17 -0.08 0.00 0.10 0.00 0.00 34.13 32.82 1kfa s GLU 46 CO 0.11 -0.39 1.42 1.87 0.02 0.00 0.00 175.26 178.29 1kfa n TRP 47 N 5.15 2.66 0.00 1.61 -0.00 -1.26 -1.39 117.44 124.21 1kfa n TRP 47 Ca -0.07 0.44 0.00 0.00 -0.00 0.00 0.00 57.50 57.87 1kfa n TRP 47 Cb 0.49 -2.45 0.00 0.00 -0.00 0.00 0.00 31.31 29.35 1kfa n TRP 47 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1kfa n VAL 48 N -0.24 0.00 0.00 5.87 0.31 -0.13 -4.84 118.33 119.30 1kfa n VAL 48 Ca 0.05 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1kfa n VAL 48 Cb 0.41 0.55 0.00 0.00 -0.91 0.00 0.00 33.84 33.89 1kfa n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kfa n ALA 49 N -0.64 0.00 -3.25 3.52 0.00 -1.09 -4.49 120.51 114.57 1kfa n ALA 49 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1kfa n ALA 49 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1kfa n ALA 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kfa s THR 50 N -2.00 -0.00 -0.03 0.00 2.01 -0.88 -0.66 115.64 114.08 1kfa s THR 50 Ca 0.00 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.08 1kfa s THR 50 Cb 0.00 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 1kfa s THR 50 CO 0.00 0.00 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.20 1kfa s ILE 51 N 0.26 1.83 0.47 1.82 2.07 0.44 -2.34 121.20 125.75 1kfa s ILE 51 Ca -0.01 -0.97 -0.06 0.00 -1.41 0.00 0.00 60.65 58.20 1kfa s ILE 51 Cb -0.03 -1.53 -0.04 0.00 0.13 0.00 0.00 42.46 40.99 1kfa s ILE 51 CO -0.00 0.52 0.78 -0.89 -1.91 0.00 0.00 174.94 173.43 1kfa s THR 52 N -0.38 4.90 0.28 4.00 2.01 0.44 -1.02 115.64 125.87 1kfa s THR 52 Ca 0.04 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.29 1kfa s THR 52 Cb -0.10 -3.85 0.27 0.00 0.01 0.00 0.00 72.50 68.82 1kfa s THR 52 CO 0.01 -0.81 1.79 0.74 -0.69 0.00 0.00 174.62 175.66 1kfa h THR 53 N 0.33 0.79 -0.29 -0.82 2.02 -1.87 -0.86 112.91 112.20 1kfa h THR 53 Ca -0.47 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1kfa h THR 53 Cb 1.20 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1kfa h THR 53 CO 0.62 0.14 0.00 0.54 0.37 0.00 0.00 175.52 177.19 1kfa n ARG 55 N -4.77 1.90 -0.13 6.66 1.74 -1.26 -4.91 116.66 115.89 1kfa n ARG 55 Ca 0.19 -1.37 0.00 0.00 -0.77 0.00 0.00 57.85 55.90 1kfa n ARG 55 Cb 0.44 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 1kfa n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kfa n GLY 56 N 1.17 0.56 3.76 -0.13 0.00 -0.33 -5.06 105.19 105.16 1kfa n GLY 56 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1kfa n GLY 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kfa s TYR 57 N -2.28 2.52 0.00 1.61 5.04 -1.26 -4.71 117.35 118.27 1kfa s TYR 57 Ca 0.00 1.49 0.01 0.00 -2.44 0.00 0.00 57.07 56.13 1kfa s TYR 57 Cb 0.00 -3.53 -0.01 0.00 0.35 0.00 0.00 41.96 38.78 1kfa s TYR 57 CO 0.00 -2.16 -0.05 0.99 -1.34 0.00 0.00 175.55 172.99 1kfa s THR 58 N -1.51 0.36 -0.08 4.34 2.01 -1.26 -0.42 115.64 119.08 1kfa s THR 58 Ca 0.72 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 62.22 1kfa s THR 58 Cb -0.32 -0.33 0.04 0.00 0.01 0.00 0.00 72.50 71.90 1kfa s THR 58 CO 0.37 0.02 0.42 0.72 -0.69 0.00 0.00 174.62 175.46 1kfa s PHE 59 N -0.30 -0.37 0.21 4.92 -0.12 -0.99 -5.05 117.98 116.27 1kfa s PHE 59 Ca -0.00 0.75 -0.01 0.00 -0.05 0.00 0.00 56.93 57.62 1kfa s PHE 59 Cb -0.03 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1kfa s PHE 59 CO -0.00 -0.37 0.14 0.71 -0.05 0.00 0.00 175.22 175.65 1kfa s TYR 60 N -0.72 1.16 0.33 3.49 1.51 -1.26 -2.06 117.35 119.80 1kfa s TYR 60 Ca -0.08 -1.38 -0.06 0.00 -1.01 0.00 0.00 57.07 54.54 1kfa s TYR 60 Cb -0.04 -0.55 -0.05 0.00 -0.11 0.00 0.00 41.96 41.21 1kfa s TYR 60 CO 0.04 -0.65 0.62 -1.25 -1.11 0.00 0.00 175.55 173.19 1kfa s PRO 61 N -4.13 3.65 0.26 -1.71 0.04 -1.26 -4.94 135.00 126.90 1kfa s PRO 61 Ca 0.39 0.09 -0.04 0.00 0.04 0.00 0.00 61.00 61.48 1kfa s PRO 61 Cb 0.07 -2.57 0.52 0.00 0.04 0.00 0.00 34.50 32.55 1kfa s PRO 61 CO 0.12 0.13 1.63 -0.44 0.04 0.00 0.00 177.00 178.48 1kfa h ASP 62 N 1.42 -0.27 0.00 6.66 3.32 -1.98 -1.94 116.42 123.62 1kfa h ASP 62 Ca -0.48 0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1kfa h ASP 62 Cb 1.19 0.33 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1kfa h ASP 62 CO 0.65 -0.18 0.30 -1.54 -1.72 0.00 0.00 179.24 176.75 1kfa n SER 63 N -5.32 0.32 -0.00 6.45 3.41 -1.26 -1.87 113.62 115.34 1kfa n SER 63 Ca 0.16 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1kfa n SER 63 Cb 0.54 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1kfa n SER 63 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1kfa n VAL 64 N -2.00 0.00 -1.72 -3.33 0.31 -0.74 -5.03 118.33 105.82 1kfa n VAL 64 Ca -0.01 -0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 63.53 1kfa n VAL 64 Cb 0.32 0.87 -0.00 0.00 -0.91 0.00 0.00 33.84 34.12 1kfa n VAL 64 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1kfa n LYS 65 N -1.13 2.22 -0.98 5.55 5.02 -0.78 -1.93 118.16 126.13 1kfa n LYS 65 Ca 0.00 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 1kfa n LYS 65 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 1kfa n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kfa n GLY 66 N 0.70 0.45 0.00 0.72 0.00 -1.26 -4.78 105.19 101.03 1kfa n GLY 66 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1kfa n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfa n ARG 67 N -2.09 1.47 -4.57 1.61 1.74 -0.81 -4.98 116.66 109.02 1kfa n ARG 67 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1kfa n ARG 67 Cb 0.09 -0.72 -0.13 0.00 -1.02 0.00 0.00 32.46 30.69 1kfa n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1kfa s PHE 68 N -1.44 2.50 -0.09 -1.55 0.40 -1.05 -0.02 117.98 116.73 1kfa s PHE 68 Ca 0.00 -0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.01 1kfa s PHE 68 Cb 0.00 -1.40 0.04 0.00 0.51 0.00 0.00 43.02 42.16 1kfa s PHE 68 CO 0.00 0.28 0.05 0.99 0.70 0.00 0.00 175.22 177.24 1kfa s THR 69 N -0.98 0.03 0.09 0.64 2.01 -0.04 -4.92 115.64 112.47 1kfa s THR 69 Ca 0.15 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.14 1kfa s THR 69 Cb -0.10 -0.38 -0.07 0.00 0.01 0.00 0.00 72.50 71.96 1kfa s THR 69 CO 0.06 0.06 0.55 -0.69 -0.69 0.00 0.00 174.62 173.92 1kfa s VAL 70 N 2.10 4.79 0.09 3.82 1.01 -1.26 -1.17 120.40 129.78 1kfa s VAL 70 Ca 0.04 1.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.98 1kfa s VAL 70 Cb -0.13 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1kfa s VAL 70 CO -0.05 0.48 0.33 -0.94 0.00 0.00 0.00 175.10 174.92 1kfa s SER 71 N -1.25 -0.14 -0.01 3.32 1.04 -1.07 -4.96 113.70 110.62 1kfa s SER 71 Ca 0.31 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.44 1kfa s SER 71 Cb -0.18 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 1kfa s SER 71 CO 0.19 -0.75 -0.10 0.00 0.98 0.00 0.00 173.24 173.55 1kfa s ARG 72 N -3.40 0.86 -0.60 4.02 1.70 -1.26 0.10 118.95 120.36 1kfa s ARG 72 Ca 0.01 -0.34 -0.01 0.00 -0.47 0.00 0.00 55.73 54.91 1kfa s ARG 72 Cb 0.02 -0.82 0.15 0.00 -0.57 0.00 0.00 34.95 33.73 1kfa s ARG 72 CO -0.09 0.19 0.40 0.34 -1.08 0.00 0.00 175.30 175.06 1kfa s ASP 73 N -0.11 5.03 0.62 -2.89 -1.08 0.36 -4.93 116.67 113.67 1kfa s ASP 73 Ca 0.02 -2.90 0.35 0.00 -0.52 0.00 0.00 52.55 49.49 1kfa s ASP 73 Cb -0.05 -1.80 1.99 0.00 -1.46 0.00 0.00 42.92 41.60 1kfa s ASP 73 CO -0.00 -0.33 2.26 0.78 0.52 0.00 0.00 175.17 178.39 1kfa h ASN 74 N 6.90 0.00 0.45 -0.34 -0.26 -1.95 0.11 115.58 120.48 1kfa h ASN 74 Ca -0.03 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.69 1kfa h ASN 74 Cb 0.94 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.20 1kfa h ASN 74 CO 0.71 0.00 -0.21 0.00 -1.06 0.00 0.00 177.43 176.86 1kfa h ALA 75 N 1.93 -0.99 0.00 -0.83 0.00 -1.94 -2.93 119.26 114.51 1kfa h ALA 75 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1kfa h ALA 75 Cb 0.11 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1kfa h ALA 75 CO -0.00 -0.94 0.00 0.54 0.00 0.00 0.00 179.25 178.85 1kfa n ARG 76 N -3.86 0.99 -3.82 0.00 1.74 -1.08 -4.88 116.66 105.74 1kfa n ARG 76 Ca -0.07 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.76 1kfa n ARG 76 Cb 0.24 -1.04 0.02 0.00 -1.02 0.00 0.00 32.46 30.65 1kfa n ARG 76 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1kfa n ASN 77 N -0.54 -1.70 -4.32 0.55 4.13 0.14 -4.83 115.26 108.69 1kfa n ASN 77 Ca 0.02 -0.87 -0.27 0.00 1.68 0.00 0.00 54.58 55.14 1kfa n ASN 77 Cb 0.01 -3.72 -0.13 0.00 -1.54 0.00 0.00 39.78 34.39 1kfa n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1kfa s THR 78 N -3.66 1.97 -0.12 3.41 2.01 0.13 -2.53 115.64 116.85 1kfa s THR 78 Ca 0.15 -1.50 0.02 0.00 0.31 0.00 0.00 61.69 60.67 1kfa s THR 78 Cb -0.08 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.70 1kfa s THR 78 CO 0.84 0.14 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.48 1kfa s LEU 79 N -1.65 2.25 0.37 4.42 0.20 -1.01 0.14 118.68 123.38 1kfa s LEU 79 Ca 0.10 -0.52 0.09 0.00 0.69 0.00 0.00 54.13 54.48 1kfa s LEU 79 Cb -0.10 -1.47 -0.06 0.00 -0.43 0.00 0.00 46.19 44.13 1kfa s LEU 79 CO 0.04 0.13 -0.01 0.20 -0.29 0.00 0.00 176.35 176.41 1kfa s ASN 80 N 0.54 3.96 -0.27 3.68 0.01 0.11 -1.40 114.94 121.58 1kfa s ASN 80 Ca -0.12 -1.17 -0.03 0.00 -0.71 0.00 0.00 52.86 50.83 1kfa s ASN 80 Cb -0.17 -0.43 0.11 0.00 0.41 0.00 0.00 41.25 41.18 1kfa s ASN 80 CO 0.04 -0.30 0.22 -0.22 -1.51 0.00 0.00 177.10 175.33 1kfa s LEU 81 N -3.69 0.07 -0.20 0.60 2.96 -0.39 -2.61 118.68 115.41 1kfa s LEU 81 Ca 0.35 -0.81 -0.24 0.00 -0.22 0.00 0.00 54.13 53.20 1kfa s LEU 81 Cb 0.04 0.17 -0.01 0.00 0.50 0.00 0.00 46.19 46.88 1kfa s LEU 81 CO 0.18 -0.39 0.79 -1.58 -1.32 0.00 0.00 176.35 174.03 1kfa s GLN 82 N 2.26 4.25 -0.09 1.98 2.00 -0.32 -1.11 119.66 128.63 1kfa s GLN 82 Ca 0.08 0.91 0.02 0.00 -2.00 0.00 0.00 55.36 54.38 1kfa s GLN 82 Cb -0.15 -3.60 -0.02 0.00 0.80 0.00 0.00 33.01 30.05 1kfa s GLN 82 CO -0.29 -0.37 -0.15 -1.64 -0.50 0.00 0.00 175.29 172.35 1kfa s MET 83 N 2.31 2.97 0.12 1.67 -1.94 0.49 -0.86 119.30 124.07 1kfa s MET 83 Ca 0.35 -0.71 0.04 0.00 -1.71 0.00 0.00 55.69 53.66 1kfa s MET 83 Cb -0.16 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.15 1kfa s MET 83 CO 0.10 0.39 -0.09 -1.12 -0.01 0.00 0.00 175.02 174.29 1kfa s SER 84 N -0.11 1.56 -1.42 3.03 0.01 0.97 -1.45 113.70 116.28 1kfa s SER 84 Ca -0.02 -0.96 -0.04 0.00 1.31 0.00 0.00 55.95 56.24 1kfa s SER 84 Cb -0.14 0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.14 1kfa s SER 84 CO 0.04 -0.34 0.65 -1.20 0.41 0.00 0.00 173.24 172.79 1kfa n SER 85 N 0.04 -1.65 -4.73 2.44 7.64 -0.98 -4.74 113.62 111.64 1kfa n SER 85 Ca -0.12 -0.90 -0.37 0.00 1.01 0.00 0.00 58.87 58.49 1kfa n SER 85 Cb 0.60 -3.52 0.07 0.00 -1.01 0.00 0.00 64.21 60.34 1kfa n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1kfa n LEU 86 N -4.40 6.06 -4.25 -3.43 4.77 -0.71 -4.63 117.00 110.42 1kfa n LEU 86 Ca -0.21 0.84 -0.19 0.00 -0.03 0.00 0.00 56.01 56.41 1kfa n LEU 86 Cb 0.64 -1.56 -0.11 0.00 -2.33 0.00 0.00 43.42 40.05 1kfa n LEU 86 CO 0.74 -0.96 -0.46 -0.13 -1.33 0.00 0.00 177.39 175.24 1kfa s ARG 87 N -3.35 1.05 0.30 3.23 0.52 -1.26 0.14 118.95 119.58 1kfa s ARG 87 Ca 0.82 -1.22 0.05 0.00 -0.52 0.00 0.00 55.73 54.86 1kfa s ARG 87 Cb -0.38 -1.03 0.72 0.00 0.52 0.00 0.00 34.95 34.78 1kfa s ARG 87 CO 0.40 0.21 1.76 0.66 0.02 0.00 0.00 175.30 178.35 1kfa h SER 88 N 3.64 0.67 0.01 0.23 4.64 -1.96 0.56 113.55 121.34 1kfa h SER 88 Ca -0.41 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1kfa h SER 88 Cb 1.20 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1kfa h SER 88 CO 0.48 0.21 0.00 -1.84 -0.87 0.00 0.00 176.83 174.81 1kfa n GLU 89 N -4.84 0.42 0.13 4.77 0.00 -1.26 -2.15 120.64 117.72 1kfa n GLU 89 Ca 0.23 0.01 0.01 0.00 0.00 0.00 0.00 57.16 57.40 1kfa n GLU 89 Cb 0.58 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.54 1kfa n GLU 89 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1kfa h ASP 90 N 0.00 0.00 -1.95 -1.84 3.32 -0.24 -3.46 116.42 112.25 1kfa h ASP 90 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1kfa h ASP 90 Cb 0.00 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.61 1kfa h ASP 90 CO 0.00 0.58 0.63 0.35 -1.72 0.00 0.00 179.24 179.08 1kfa n THR 91 N -3.27 0.02 0.00 0.35 -2.24 -0.91 -4.91 114.28 103.32 1kfa n THR 91 Ca 0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1kfa n THR 91 Cb 0.75 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1kfa n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfa n ALA 92 N 3.09 0.00 -2.56 6.98 0.00 -0.84 -4.50 120.51 122.67 1kfa n ALA 92 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 1kfa n ALA 92 Cb 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 1kfa n ALA 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1kfa s MET 93 N -2.00 3.58 -0.17 0.00 -2.45 -0.94 -2.19 119.30 115.12 1kfa s MET 93 Ca 0.00 0.10 -0.20 0.00 -1.25 0.00 0.00 55.69 54.34 1kfa s MET 93 Cb 0.00 -3.87 -0.03 0.00 1.25 0.00 0.00 34.83 32.18 1kfa s MET 93 CO 0.00 -0.98 0.58 -0.06 1.05 0.00 0.00 175.02 175.60 1kfa s PHE 94 N 3.20 3.41 0.14 4.11 0.40 0.18 -0.44 117.98 128.97 1kfa s PHE 94 Ca 0.31 0.90 0.08 0.00 -0.60 0.00 0.00 56.93 57.62 1kfa s PHE 94 Cb -0.13 -2.72 -0.04 0.00 0.51 0.00 0.00 43.02 40.64 1kfa s PHE 94 CO 0.20 -0.07 -0.12 0.71 0.70 0.00 0.00 175.22 176.64 1kfa s TYR 95 N 1.51 2.63 0.06 0.36 1.51 0.63 -0.75 117.35 123.31 1kfa s TYR 95 Ca 0.28 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.16 1kfa s TYR 95 Cb -0.16 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1kfa s TYR 95 CO 0.11 0.45 -0.03 0.00 -1.11 0.00 0.00 175.55 174.97 1kfa s THR 97 N -1.20 0.16 -0.09 0.00 -4.23 0.40 -1.87 115.64 108.81 1kfa s THR 97 Ca 0.22 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1kfa s THR 97 Cb -0.11 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 1kfa s THR 97 CO 0.14 -0.72 -0.12 -0.60 -0.54 0.00 0.00 174.62 172.79 1kfa s ARG 98 N -3.99 2.94 -0.94 3.99 3.52 -0.97 -1.13 118.95 122.37 1kfa s ARG 98 Ca 0.16 -0.65 -0.23 0.00 -0.13 0.00 0.00 55.73 54.87 1kfa s ARG 98 Cb 0.08 -2.54 0.06 0.00 -1.56 0.00 0.00 34.95 30.98 1kfa s ARG 98 CO -0.04 0.46 1.35 -1.21 -0.81 0.00 0.00 175.30 175.05 1kfa s GLU 99 N -0.29 3.49 0.09 5.12 0.41 -0.67 0.13 118.70 126.98 1kfa s GLU 99 Ca 0.03 -1.03 -0.26 0.00 -0.41 0.00 0.00 54.97 53.30 1kfa s GLU 99 Cb -0.13 -5.02 -0.16 0.00 -1.78 0.00 0.00 34.13 27.04 1kfa s GLU 99 CO 0.03 -2.12 1.70 0.78 -0.49 0.00 0.00 175.26 175.16 1kfa h GLY 100 N 12.45 -0.31 -7.14 -1.39 0.00 -1.62 -3.41 103.07 101.66 1kfa h GLY 100 Ca 0.08 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1kfa h GLY 100 CO 1.35 -0.12 0.35 1.04 0.00 0.00 0.00 176.54 179.17 1kfa n LEU 101 N -5.22 0.68 0.00 3.11 4.77 -1.26 -4.83 117.00 114.24 1kfa n LEU 101 Ca -0.09 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 1kfa n LEU 101 Cb 0.14 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1kfa n LEU 101 CO 0.34 -2.85 0.33 0.18 -1.33 0.00 0.00 177.39 174.06 1kfa n LEU 102 N 15.90 0.00 -2.61 2.23 4.77 -1.26 -1.91 117.00 134.12 1kfa n LEU 102 Ca 0.39 0.66 -0.34 0.00 -0.03 0.00 0.00 56.01 56.68 1kfa n LEU 102 Cb 0.43 -0.31 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1kfa n LEU 102 CO 0.61 -0.31 1.08 0.18 -1.33 0.00 0.00 177.39 177.63 1kfa n LEU 103 N -2.48 6.67 -3.15 2.23 4.77 -1.26 -4.85 117.00 118.93 1kfa n LEU 103 Ca 0.00 -4.81 0.04 0.00 -0.03 0.00 0.00 56.01 51.22 1kfa n LEU 103 Cb 0.00 -0.84 -0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1kfa n LEU 103 CO 0.00 1.85 0.26 -0.62 -1.33 0.00 0.00 177.39 177.55 1kfa s ASP 104 N -2.04 -1.18 0.00 -1.43 2.15 -0.80 -5.17 116.67 108.19 1kfa s ASP 104 Ca 0.54 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.81 1kfa s ASP 104 Cb 0.44 1.81 0.00 0.00 -0.30 0.00 0.00 42.92 44.87 1kfa s ASP 104 CO -0.24 -0.22 0.00 0.00 -0.17 0.00 0.00 175.17 174.54 1kfa n TYR 105 N 5.35 0.00 -2.20 -5.34 4.19 -1.26 -4.59 117.16 113.32 1kfa n TYR 105 Ca 0.04 0.00 -0.37 0.00 3.31 0.00 0.00 57.90 60.88 1kfa n TYR 105 Cb 0.54 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.37 1kfa n TYR 105 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 1kfa s PHE 106 N -1.72 2.73 0.00 2.98 0.40 -1.26 -4.51 117.98 116.61 1kfa s PHE 106 Ca 0.00 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.85 1kfa s PHE 106 Cb 0.00 -3.40 0.00 0.00 0.51 0.00 0.00 43.02 40.13 1kfa s PHE 106 CO 0.00 -1.69 0.00 2.41 0.70 0.00 0.00 175.22 176.64 1kfa n THR 107 N -0.84 0.00 -2.61 0.64 -1.04 -1.26 -5.00 114.28 104.17 1kfa n THR 107 Ca 0.09 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.68 1kfa n THR 107 Cb 0.49 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.97 1kfa n THR 107 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1kfa s MET 108 N 0.00 4.36 0.00 -2.82 -1.94 -1.26 -1.64 119.30 115.99 1kfa s MET 108 Ca 0.00 1.47 0.00 0.00 -1.71 0.00 0.00 55.69 55.45 1kfa s MET 108 Cb 0.00 -3.59 0.00 0.00 2.01 0.00 0.00 34.83 33.25 1kfa s MET 108 CO 0.00 -0.45 0.00 -3.47 -0.01 0.00 0.00 175.02 171.09 1kfa n ASP 109 N 5.48 0.00 -4.89 3.03 -0.08 0.34 -4.83 116.55 115.60 1kfa n ASP 109 Ca 0.10 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.14 1kfa n ASP 109 Cb 0.47 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.90 1kfa n ASP 109 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1kfa s TYR 110 N 0.00 3.31 0.18 -0.67 2.02 -1.26 -4.91 117.35 116.02 1kfa s TYR 110 Ca 0.00 0.01 0.09 0.00 -0.37 0.00 0.00 57.07 56.79 1kfa s TYR 110 Cb 0.00 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1kfa s TYR 110 CO 0.00 0.50 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.72 1kfa s TRP 111 N -1.87 1.85 0.00 2.71 0.52 -1.26 -2.29 118.94 118.60 1kfa s TRP 111 Ca 0.33 -0.47 0.00 0.00 0.02 0.00 0.00 56.10 55.98 1kfa s TRP 111 Cb -0.10 -0.91 0.00 0.00 -1.15 0.00 0.00 33.47 31.32 1kfa s TRP 111 CO 0.26 0.36 0.00 0.41 0.02 0.00 0.00 176.95 178.01 1kfa n GLY 112 N 0.16 -0.09 0.22 0.98 0.00 -0.78 -4.62 105.19 101.06 1kfa n GLY 112 Ca -0.12 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.22 1kfa n GLY 112 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1kfa h GLN 113 N 0.00 0.00 0.00 1.61 3.07 -1.92 -3.47 115.11 114.40 1kfa h GLN 113 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1kfa h GLN 113 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1kfa h GLN 113 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.33 1kfa n GLY 114 N 0.99 -1.26 3.01 0.06 0.00 -1.26 -5.03 105.19 101.70 1kfa n GLY 114 Ca 0.04 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 1kfa n GLY 114 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kfa s THR 115 N -3.37 0.88 -0.06 2.61 -1.32 0.08 -4.80 115.64 109.66 1kfa s THR 115 Ca 0.00 -0.39 -0.23 0.00 -1.21 0.00 0.00 61.69 59.86 1kfa s THR 115 Cb 0.00 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 1kfa s THR 115 CO 0.00 0.28 0.67 -0.55 -2.21 0.00 0.00 174.62 172.81 1kfa s SER 116 N 0.30 6.96 -0.07 8.08 0.15 -1.26 -0.65 113.70 127.22 1kfa s SER 116 Ca -0.05 1.16 0.03 0.00 0.70 0.00 0.00 55.95 57.78 1kfa s SER 116 Cb -0.10 -2.40 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 1kfa s SER 116 CO 0.01 -0.09 -0.15 0.68 1.20 0.00 0.00 173.24 174.89 1kfa s VAL 117 N 0.70 1.35 -0.11 4.45 -7.23 -0.93 -1.28 120.40 117.35 1kfa s VAL 117 Ca 0.36 -0.62 0.03 0.00 -1.81 0.00 0.00 61.98 59.94 1kfa s VAL 117 Cb -0.18 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1kfa s VAL 117 CO 0.17 0.40 -0.22 -0.89 -0.31 0.00 0.00 175.10 174.26 1kfa s THR 118 N 0.46 1.94 -0.40 5.32 2.01 -0.34 -1.98 115.64 122.65 1kfa s THR 118 Ca -0.13 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 60.86 1kfa s THR 118 Cb -0.15 -1.70 0.08 0.00 0.01 0.00 0.00 72.50 70.74 1kfa s THR 118 CO 0.04 0.53 0.22 -0.69 -0.69 0.00 0.00 174.62 174.04 1kfa s VAL 119 N 0.55 4.01 0.08 3.82 1.01 -1.26 -0.73 120.40 127.87 1kfa s VAL 119 Ca -0.14 -1.44 -0.25 0.00 0.00 0.00 0.00 61.98 60.15 1kfa s VAL 119 Cb -0.17 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.82 1kfa s VAL 119 CO 0.05 -0.47 0.60 -0.55 0.00 0.00 0.00 175.10 174.73 1kfa s SER 120 N 1.96 -0.56 0.11 3.32 0.15 -0.55 -4.37 113.70 113.76 1kfa s SER 120 Ca 0.03 0.22 0.25 0.00 0.70 0.00 0.00 55.95 57.16 1kfa s SER 120 Cb -0.22 0.56 0.62 0.00 -1.71 0.00 0.00 66.02 65.27 1kfa s SER 120 CO 0.01 -0.82 1.55 -1.20 1.20 0.00 0.00 173.24 173.98 1kfa n SER 121 N 0.14 0.61 -4.73 5.45 7.64 -1.26 -4.08 113.62 117.39 1kfa n SER 121 Ca -0.18 0.25 -0.36 0.00 1.01 0.00 0.00 58.87 59.59 1kfa n SER 121 Cb 0.62 -0.19 0.07 0.00 -1.01 0.00 0.00 64.21 63.69 1kfa n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kfa s ALA 127 N -3.10 2.36 0.05 -0.43 0.00 -1.26 -5.00 121.76 114.39 1kfa s ALA 127 Ca 0.09 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 53.16 1kfa s ALA 127 Cb 0.14 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 1kfa s ALA 127 CO 0.66 -1.57 0.27 0.21 0.00 0.00 0.00 175.76 175.32 1kfa s LYS 128 N -3.44 3.54 0.14 0.00 2.36 -1.26 -5.03 119.74 116.05 1kfa s LYS 128 Ca 0.81 -0.19 -0.31 0.00 -2.55 0.00 0.00 55.97 53.72 1kfa s LYS 128 Cb -0.35 -3.01 -0.10 0.00 -1.05 0.00 0.00 37.83 33.32 1kfa s LYS 128 CO 0.39 0.60 1.57 -0.08 1.55 0.00 0.00 175.35 179.38 1kfa s THR 129 N -1.44 2.75 -0.09 3.43 -1.32 -1.26 -4.76 115.64 112.95 1kfa s THR 129 Ca 0.33 0.49 0.03 0.00 -1.21 0.00 0.00 61.69 61.33 1kfa s THR 129 Cb -0.13 -3.32 0.01 0.00 -1.51 0.00 0.00 72.50 67.55 1kfa s THR 129 CO 0.21 0.03 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.59 1kfa s THR 130 N 1.40 1.57 0.60 5.08 2.01 0.23 -4.92 115.64 121.62 1kfa s THR 130 Ca 0.70 -0.73 -0.18 0.00 0.31 0.00 0.00 61.69 61.80 1kfa s THR 130 Cb -0.42 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1kfa s THR 130 CO 0.31 0.45 1.17 -2.84 -0.69 0.00 0.00 174.62 173.02 1kfa s PRO 131 N 0.58 2.96 0.55 4.92 0.02 -1.26 -1.38 135.00 141.39 1kfa s PRO 131 Ca -0.15 1.68 -0.05 0.00 0.02 0.00 0.00 61.00 62.50 1kfa s PRO 131 Cb -0.17 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1kfa s PRO 131 CO 0.05 -1.18 0.85 -1.25 -0.33 0.00 0.00 177.00 175.14 1kfa s PRO 132 N -3.51 3.01 -0.13 5.54 0.04 -1.26 -4.33 135.00 134.35 1kfa s PRO 132 Ca 0.74 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1kfa s PRO 132 Cb -0.27 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 1kfa s PRO 132 CO 0.34 -0.57 -0.14 -1.12 0.04 0.00 0.00 177.00 175.55 1kfa s SER 133 N -4.27 3.98 -0.34 6.66 0.01 -0.17 -4.94 113.70 114.63 1kfa s SER 133 Ca 0.52 -0.33 -0.07 0.00 1.31 0.00 0.00 55.95 57.38 1kfa s SER 133 Cb -0.10 -1.58 0.03 0.00 0.21 0.00 0.00 66.02 64.57 1kfa s SER 133 CO 0.44 0.17 0.12 -0.69 0.41 0.00 0.00 173.24 173.69 1kfa s VAL 134 N 0.32 3.99 -0.10 3.43 1.01 -1.26 -1.21 120.40 126.58 1kfa s VAL 134 Ca -0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 1kfa s VAL 134 Cb -0.16 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1kfa s VAL 134 CO 0.06 -0.13 0.06 -0.31 0.00 0.00 0.00 175.10 174.77 1kfa s TYR 135 N 1.46 3.33 0.18 5.22 2.02 -0.06 -4.91 117.35 124.59 1kfa s TYR 135 Ca 0.00 0.32 -0.30 0.00 -0.37 0.00 0.00 57.07 56.72 1kfa s TYR 135 Cb -0.19 -1.86 -0.08 0.00 -0.40 0.00 0.00 41.96 39.44 1kfa s TYR 135 CO 0.04 0.57 1.04 -2.14 -1.57 0.00 0.00 175.55 173.48 1kfa s PRO 136 N -0.91 4.67 -0.53 -1.71 0.02 -1.26 0.46 135.00 135.74 1kfa s PRO 136 Ca 0.14 1.62 0.03 0.00 0.02 0.00 0.00 61.00 62.80 1kfa s PRO 136 Cb -0.12 -3.29 0.13 0.00 0.02 0.00 0.00 34.50 31.24 1kfa s PRO 136 CO 0.03 0.20 0.28 -0.51 -0.33 0.00 0.00 177.00 176.67 1kfa s LEU 137 N -0.52 4.54 0.08 -5.54 1.43 0.27 -4.86 118.68 114.08 1kfa s LEU 137 Ca 0.47 -2.91 0.06 0.00 -1.03 0.00 0.00 54.13 50.72 1kfa s LEU 137 Cb -0.28 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1kfa s LEU 137 CO 0.34 -0.27 -0.09 0.00 0.23 0.00 0.00 176.35 176.55 1kfa s ALA 138 N -0.15 2.97 0.00 4.21 0.00 -1.26 -0.08 121.76 127.45 1kfa s ALA 138 Ca 0.16 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1kfa s ALA 138 Cb -0.24 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1kfa s ALA 138 CO -0.01 0.64 0.00 -0.35 0.00 0.00 0.00 175.76 176.04 1kfa n PRO 139 N 0.87 0.00 0.00 0.00 -0.04 -1.26 -5.04 135.00 129.53 1kfa n PRO 139 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1kfa n PRO 139 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1kfa n PRO 139 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1kfa n MET 148 N 0.00 0.00 -3.96 0.54 0.00 -1.26 -4.90 117.12 107.54 1kfa n MET 148 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.39 1kfa n MET 148 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 1kfa n MET 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1kfa s VAL 149 N 0.00 5.16 -0.23 2.03 0.11 -0.36 -4.82 120.40 122.30 1kfa s VAL 149 Ca 0.00 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1kfa s VAL 149 Cb 0.00 -3.52 0.05 0.00 -1.53 0.00 0.00 36.38 31.38 1kfa s VAL 149 CO 0.00 0.12 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.92 1kfa s THR 150 N -1.50 1.69 0.18 5.04 2.01 -1.26 -1.19 115.64 120.61 1kfa s THR 150 Ca 0.33 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 61.11 1kfa s THR 150 Cb -0.13 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1kfa s THR 150 CO 0.26 0.00 0.35 -0.76 -0.69 0.00 0.00 174.62 173.78 1kfa s LEU 151 N 1.34 4.27 0.14 4.42 2.01 0.42 -4.67 118.68 126.61 1kfa s LEU 151 Ca -0.05 0.32 -0.03 0.00 0.01 0.00 0.00 54.13 54.38 1kfa s LEU 151 Cb -0.18 -3.07 -0.03 0.00 0.01 0.00 0.00 46.19 42.91 1kfa s LEU 151 CO -0.07 0.00 0.13 -0.83 1.01 0.00 0.00 176.35 176.59 1kfa s GLY 152 N -3.15 0.83 -0.02 -3.19 0.00 0.88 0.36 107.32 103.03 1kfa s GLY 152 Ca 0.37 -1.29 0.02 0.00 0.00 0.00 0.00 44.72 43.82 1kfa s GLY 152 CO 0.29 -1.20 -0.08 0.00 0.00 0.00 0.00 173.10 172.10 1kfa s LEU 154 N 0.20 4.55 -0.51 0.00 0.20 0.17 -1.60 118.68 121.69 1kfa s LEU 154 Ca -0.03 -1.61 -0.21 0.00 0.69 0.00 0.00 54.13 52.97 1kfa s LEU 154 Cb -0.08 -1.77 0.05 0.00 -0.43 0.00 0.00 46.19 43.95 1kfa s LEU 154 CO 0.00 -0.39 0.70 -0.69 -0.29 0.00 0.00 176.35 175.69 1kfa s VAL 155 N 1.21 4.75 0.14 1.68 1.01 0.10 -0.88 120.40 128.41 1kfa s VAL 155 Ca 0.01 -0.22 0.11 0.00 0.00 0.00 0.00 61.98 61.89 1kfa s VAL 155 Cb -0.21 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 1kfa s VAL 155 CO -0.02 -0.85 -0.26 -0.75 0.00 0.00 0.00 175.10 173.22 1kfa s LYS 156 N 2.98 1.39 -1.38 2.72 2.20 -0.35 -0.20 119.74 127.11 1kfa s LYS 156 Ca 0.20 -1.37 -0.09 0.00 -0.36 0.00 0.00 55.97 54.35 1kfa s LYS 156 Cb -0.17 -1.83 0.02 0.00 -1.51 0.00 0.00 37.83 34.34 1kfa s LYS 156 CO 0.15 0.42 1.14 0.41 -0.36 0.00 0.00 175.35 177.11 1kfa n GLY 157 N 0.79 -0.53 3.68 5.54 0.00 -0.66 -1.00 105.19 113.02 1kfa n GLY 157 Ca -0.17 0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1kfa n GLY 157 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kfa s TYR 158 N -3.32 2.71 -0.27 1.61 -0.85 -0.79 -4.55 117.35 111.88 1kfa s TYR 158 Ca 0.56 -0.28 -0.24 0.00 -0.52 0.00 0.00 57.07 56.59 1kfa s TYR 158 Cb -0.26 -1.35 0.09 0.00 0.38 0.00 0.00 41.96 40.83 1kfa s TYR 158 CO 0.75 0.53 0.82 0.12 -1.52 0.00 0.00 175.55 176.25 1kfa s PHE 159 N -2.36 -0.70 0.00 -3.49 5.36 -0.48 0.15 117.98 116.47 1kfa s PHE 159 Ca 0.33 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.98 1kfa s PHE 159 Cb -0.05 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 1kfa s PHE 159 CO 0.21 -0.34 0.00 -0.35 -1.46 0.00 0.00 175.22 173.28 1kfa n PRO 160 N 2.65 2.84 -2.94 10.12 -0.04 -1.26 0.76 135.00 147.13 1kfa n PRO 160 Ca -0.14 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.08 1kfa n PRO 160 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.02 1kfa n PRO 160 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1kfa s GLU 161 N 2.19 3.17 0.38 0.54 0.41 -1.26 -4.80 118.70 119.32 1kfa s GLU 161 Ca 0.00 -0.33 0.05 0.00 -0.41 0.00 0.00 54.97 54.28 1kfa s GLU 161 Cb 0.00 -2.52 0.05 0.00 -1.78 0.00 0.00 34.13 29.88 1kfa s GLU 161 CO 0.00 -0.25 0.45 -0.35 -0.49 0.00 0.00 175.26 174.62 1kfa n PRO 162 N -2.11 0.81 -3.83 0.39 -0.04 -1.26 -4.90 135.00 124.05 1kfa n PRO 162 Ca 0.01 -2.17 -0.12 0.00 -0.04 0.00 0.00 63.50 61.17 1kfa n PRO 162 Cb 0.57 -0.02 -0.13 0.00 -0.04 0.00 0.00 33.50 33.88 1kfa n PRO 162 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kfa s VAL 163 N -1.56 -0.00 0.04 0.52 0.11 -1.26 -4.44 120.40 113.81 1kfa s VAL 163 Ca 0.34 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.42 1kfa s VAL 163 Cb -0.03 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 1kfa s VAL 163 CO 0.22 0.00 0.02 0.42 -3.33 0.00 0.00 175.10 172.43 1kfa s THR 164 N 0.10 4.23 -0.06 5.04 -4.23 0.13 -4.91 115.64 115.94 1kfa s THR 164 Ca -0.00 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1kfa s THR 164 Cb -0.01 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.90 1kfa s THR 164 CO -0.00 0.25 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.61 1kfa s VAL 165 N -1.22 0.53 0.12 2.29 1.01 -1.26 -0.31 120.40 121.57 1kfa s VAL 165 Ca 0.23 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1kfa s VAL 165 Cb -0.12 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1kfa s VAL 165 CO 0.15 0.25 -0.09 0.42 0.00 0.00 0.00 175.10 175.83 1kfa s THR 166 N 1.29 0.98 -0.11 3.92 -4.23 0.17 -4.98 115.64 112.67 1kfa s THR 166 Ca -0.05 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 1kfa s THR 166 Cb -0.14 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 71.95 1kfa s THR 166 CO -0.02 -0.77 -0.18 0.26 -0.54 0.00 0.00 174.62 173.37 1kfa s TRP 167 N -3.35 2.69 -1.36 3.99 0.52 -1.26 0.22 118.94 120.40 1kfa s TRP 167 Ca 0.14 -0.76 -0.00 0.00 0.02 0.00 0.00 56.10 55.50 1kfa s TRP 167 Cb 0.03 -1.77 -0.00 0.00 -1.15 0.00 0.00 33.47 30.58 1kfa s TRP 167 CO -0.01 -0.26 0.53 0.09 0.02 0.00 0.00 176.95 177.32 1kfa n ASN 168 N 3.41 -0.72 -2.12 2.95 4.13 0.30 0.46 115.26 123.67 1kfa n ASN 168 Ca -0.18 -0.93 -0.15 0.00 1.68 0.00 0.00 54.58 55.00 1kfa n ASN 168 Cb 0.53 -3.45 -0.02 0.00 -1.54 0.00 0.00 39.78 35.29 1kfa n ASN 168 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1kfa n SER 169 N -3.01 -4.24 0.00 6.41 7.64 -1.26 -0.52 113.62 118.64 1kfa n SER 169 Ca -0.30 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1kfa n SER 169 Cb 0.68 -3.67 0.00 0.00 -1.01 0.00 0.00 64.21 60.21 1kfa n SER 169 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kfa n GLY 170 N -0.68 1.97 0.30 0.23 0.00 0.17 -4.93 105.19 102.25 1kfa n GLY 170 Ca -0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1kfa n GLY 170 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kfa h SER 171 N 0.00 0.02 -3.37 1.61 0.02 -0.20 -3.37 113.55 108.26 1kfa h SER 171 Ca 0.00 0.18 -0.56 0.00 -0.84 0.00 0.00 61.79 60.57 1kfa h SER 171 Cb 0.00 0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 1kfa h SER 171 CO 0.00 -0.11 0.10 -0.76 -1.14 0.00 0.00 176.83 174.92 1kfa s LEU 172 N -10.63 4.33 0.00 5.07 1.43 -1.00 -4.85 118.68 113.03 1kfa s LEU 172 Ca -0.12 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1kfa s LEU 172 Cb 0.25 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1kfa s LEU 172 CO 0.77 -0.10 0.00 -1.20 0.23 0.00 0.00 176.35 176.05 1kfa n SER 173 N 3.66 0.00 -4.77 2.29 7.64 -1.26 -4.37 113.62 116.81 1kfa n SER 173 Ca -0.01 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.46 1kfa n SER 173 Cb 0.51 0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1kfa n SER 173 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1kfa s SER 174 N -4.11 6.29 -1.47 6.43 1.04 -1.26 -2.66 113.70 117.96 1kfa s SER 174 Ca 0.00 2.83 -0.06 0.00 0.48 0.00 0.00 55.95 59.20 1kfa s SER 174 Cb 0.00 -2.65 0.01 0.00 0.10 0.00 0.00 66.02 63.47 1kfa s SER 174 CO 0.00 -0.88 0.83 0.61 0.98 0.00 0.00 173.24 174.78 1kfa n GLY 175 N 0.61 -0.52 3.41 7.32 0.00 -1.26 -4.58 105.19 110.18 1kfa n GLY 175 Ca 0.03 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1kfa n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfa s VAL 176 N -3.23 3.21 -0.40 1.61 1.01 -1.09 -1.11 120.40 120.39 1kfa s VAL 176 Ca 0.41 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1kfa s VAL 176 Cb -0.18 -2.35 0.14 0.00 0.00 0.00 0.00 36.38 33.98 1kfa s VAL 176 CO 0.51 0.53 0.22 -1.00 0.00 0.00 0.00 175.10 175.36 1kfa s HIS 177 N 0.20 1.54 -0.24 5.22 3.76 0.15 -4.98 115.29 120.95 1kfa s HIS 177 Ca -0.07 -2.12 -0.18 0.00 -0.15 0.00 0.00 55.06 52.53 1kfa s HIS 177 Cb -0.15 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 1kfa s HIS 177 CO 0.05 -0.80 0.53 0.99 -0.85 0.00 0.00 174.74 174.65 1kfa s THR 178 N 0.65 5.07 0.37 1.30 2.01 -1.26 -1.79 115.64 121.99 1kfa s THR 178 Ca 0.17 0.94 -0.08 0.00 0.31 0.00 0.00 61.69 63.03 1kfa s THR 178 Cb -0.24 -3.85 -0.06 0.00 0.01 0.00 0.00 72.50 68.37 1kfa s THR 178 CO -0.00 0.12 0.69 -0.36 -0.69 0.00 0.00 174.62 174.37 1kfa s PHE 179 N 2.06 3.48 0.21 4.92 0.08 -0.40 -5.00 117.98 123.34 1kfa s PHE 179 Ca 0.23 0.87 -0.30 0.00 0.12 0.00 0.00 56.93 57.84 1kfa s PHE 179 Cb -0.16 -2.30 -0.10 0.00 -0.57 0.00 0.00 43.02 39.90 1kfa s PHE 179 CO 0.09 -0.02 1.42 -2.14 -0.10 0.00 0.00 175.22 174.47 1kfa s PRO 180 N -3.83 4.30 0.83 0.24 0.02 -1.26 -4.44 135.00 130.86 1kfa s PRO 180 Ca 0.48 2.22 -0.12 0.00 0.02 0.00 0.00 61.00 63.60 1kfa s PRO 180 Cb -0.10 -3.15 0.10 0.00 0.02 0.00 0.00 34.50 31.36 1kfa s PRO 180 CO 0.32 -0.40 1.17 0.00 -0.33 0.00 0.00 177.00 177.76 1kfa s ALA 181 N 0.26 1.79 0.17 -1.55 0.00 -1.26 -4.84 121.76 116.32 1kfa s ALA 181 Ca 0.60 0.70 0.11 0.00 0.00 0.00 0.00 51.96 53.37 1kfa s ALA 181 Cb -0.40 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 1kfa s ALA 181 CO 0.39 -2.35 -0.25 0.08 0.00 0.00 0.00 175.76 173.64 1kfa s VAL 182 N -2.39 2.32 -0.19 0.00 1.01 -0.72 -4.89 120.40 115.54 1kfa s VAL 182 Ca 0.70 -1.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.72 1kfa s VAL 182 Cb -0.25 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1kfa s VAL 182 CO 0.53 -0.04 -0.08 -0.22 0.00 0.00 0.00 175.10 175.29 1kfa s LEU 183 N -2.44 2.81 -0.13 3.92 2.96 -1.26 -2.15 118.68 122.39 1kfa s LEU 183 Ca 0.18 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1kfa s LEU 183 Cb -0.09 -1.69 -0.12 0.00 0.50 0.00 0.00 46.19 44.80 1kfa s LEU 183 CO 0.08 0.04 -0.05 1.67 -1.32 0.00 0.00 176.35 176.78 1kfa n GLN 184 N 4.37 1.23 0.00 1.98 7.27 -1.20 -5.02 117.38 126.01 1kfa n GLN 184 Ca -0.18 0.04 0.00 0.00 0.07 0.00 0.00 57.00 56.93 1kfa n GLN 184 Cb 0.51 -1.29 0.00 0.00 2.41 0.00 0.00 30.24 31.87 1kfa n GLN 184 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1kfa n SER 185 N -2.68 0.00 -0.71 1.69 7.64 -1.26 -4.97 113.62 113.33 1kfa n SER 185 Ca -0.22 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.69 1kfa n SER 185 Cb 0.82 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.08 1kfa n SER 185 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1kfa n ASP 186 N 0.00 0.91 -3.99 6.43 8.00 -1.26 -5.05 116.55 121.60 1kfa n ASP 186 Ca 0.00 -2.43 -0.14 0.00 0.71 0.00 0.00 54.79 52.93 1kfa n ASP 186 Cb 0.00 -0.31 -0.13 0.00 -0.02 0.00 0.00 41.12 40.66 1kfa n ASP 186 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1kfa s LEU 187 N -0.92 2.10 0.37 0.64 1.43 -1.26 -4.67 118.68 116.36 1kfa s LEU 187 Ca 0.20 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1kfa s LEU 187 Cb 0.20 -0.20 -0.01 0.00 0.03 0.00 0.00 46.19 46.22 1kfa s LEU 187 CO -0.05 -0.04 0.52 -0.31 0.23 0.00 0.00 176.35 176.70 1kfa s TYR 188 N -0.57 3.11 -0.24 0.29 1.51 0.40 -3.21 117.35 118.64 1kfa s TYR 188 Ca -0.03 -0.14 -0.08 0.00 -1.01 0.00 0.00 57.07 55.81 1kfa s TYR 188 Cb -0.05 -2.10 0.10 0.00 -0.11 0.00 0.00 41.96 39.80 1kfa s TYR 188 CO -0.00 -0.13 0.51 0.99 -1.11 0.00 0.00 175.55 175.81 1kfa s THR 189 N -2.28 -0.76 0.12 -0.71 2.01 -0.91 -1.65 115.64 111.46 1kfa s THR 189 Ca 0.47 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.62 1kfa s THR 189 Cb -0.10 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1kfa s THR 189 CO 0.33 0.04 -0.12 -1.48 -0.69 0.00 0.00 174.62 172.70 1kfa s LEU 190 N 2.68 2.42 0.21 4.42 0.05 0.73 -1.76 118.68 127.43 1kfa s LEU 190 Ca -0.04 -0.84 0.07 0.00 0.05 0.00 0.00 54.13 53.37 1kfa s LEU 190 Cb -0.12 -0.42 -0.05 0.00 -2.05 0.00 0.00 46.19 43.55 1kfa s LEU 190 CO -0.15 -0.22 -0.11 -0.94 -0.55 0.00 0.00 176.35 174.38 1kfa s SER 191 N -2.55 2.44 -0.09 1.48 1.04 -1.26 0.03 113.70 114.80 1kfa s SER 191 Ca 0.09 -1.07 -0.09 0.00 0.48 0.00 0.00 55.95 55.36 1kfa s SER 191 Cb -0.03 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1kfa s SER 191 CO 0.02 -0.25 0.24 -0.55 0.98 0.00 0.00 173.24 173.68 1kfa s SER 192 N -3.32 -0.24 0.17 7.02 0.15 -0.63 -1.27 113.70 115.58 1kfa s SER 192 Ca 0.23 0.46 0.08 0.00 0.70 0.00 0.00 55.95 57.42 1kfa s SER 192 Cb 0.01 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 1kfa s SER 192 CO 0.07 -0.11 -0.16 -0.94 1.20 0.00 0.00 173.24 173.30 1kfa s SER 193 N 0.04 2.54 0.03 5.45 1.04 -0.74 -0.78 113.70 121.26 1kfa s SER 193 Ca -0.01 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.52 1kfa s SER 193 Cb -0.02 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 1kfa s SER 193 CO 0.00 -0.10 -0.05 0.54 0.98 0.00 0.00 173.24 174.62 1kfa s VAL 194 N -2.39 0.30 -0.06 5.02 0.11 0.16 -0.68 120.40 122.86 1kfa s VAL 194 Ca 0.17 -0.84 0.04 0.00 -2.93 0.00 0.00 61.98 58.42 1kfa s VAL 194 Cb -0.04 -0.39 -0.00 0.00 -1.53 0.00 0.00 36.38 34.42 1kfa s VAL 194 CO 0.06 -0.35 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.39 1kfa s THR 195 N -1.18 1.64 0.12 5.04 2.01 -0.27 -0.43 115.64 122.57 1kfa s THR 195 Ca -0.11 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 1kfa s THR 195 Cb -0.08 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1kfa s THR 195 CO -0.00 0.47 0.04 0.68 -0.69 0.00 0.00 174.62 175.11 1kfa s VAL 196 N 0.16 0.15 0.19 3.82 -7.23 -0.33 -4.72 120.40 112.44 1kfa s VAL 196 Ca -0.09 -1.90 -0.33 0.00 -1.81 0.00 0.00 61.98 57.86 1kfa s VAL 196 Cb -0.14 -1.96 -0.13 0.00 0.56 0.00 0.00 36.38 34.71 1kfa s VAL 196 CO 0.04 -0.56 1.56 -2.65 -0.31 0.00 0.00 175.10 173.18 1kfa n PRO 197 N -0.07 2.24 -0.42 4.82 -0.02 -1.26 -1.22 135.00 139.07 1kfa n PRO 197 Ca -0.07 0.81 0.35 0.00 -2.02 0.00 0.00 63.50 62.57 1kfa n PRO 197 Cb 0.63 -2.56 0.63 0.00 -0.02 0.00 0.00 33.50 32.18 1kfa n PRO 197 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1kfa h SER 198 N 5.55 0.28 0.11 2.55 0.02 -1.90 2.51 113.55 122.67 1kfa h SER 198 Ca -0.45 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1kfa h SER 198 Cb 1.25 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1kfa h SER 198 CO 0.86 -0.22 -0.01 -1.54 -1.14 0.00 0.00 176.83 174.79 1kfa n SER 199 N -4.81 0.12 0.08 3.07 3.41 -1.26 -3.48 113.62 110.76 1kfa n SER 199 Ca 0.37 -0.88 -0.15 0.00 -0.26 0.00 0.00 58.87 57.96 1kfa n SER 199 Cb 1.38 -0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 65.20 1kfa n SER 199 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1kfa h SER 200 N 0.19 0.52 -4.42 4.04 0.87 0.40 -3.40 113.55 111.74 1kfa h SER 200 Ca 0.00 -0.46 -0.44 0.00 -1.23 0.00 0.00 61.79 59.66 1kfa h SER 200 Cb 0.10 -0.16 -0.22 0.00 -0.44 0.00 0.00 62.40 61.68 1kfa h SER 200 CO 0.00 1.28 -0.79 -0.60 -0.53 0.00 0.00 176.83 176.19 1kfa s ARG 201 N -3.08 0.88 0.00 2.24 3.52 -1.23 0.28 118.95 121.57 1kfa s ARG 201 Ca -0.05 -0.99 0.10 0.00 -0.13 0.00 0.00 55.73 54.66 1kfa s ARG 201 Cb 0.08 -0.93 0.60 0.00 -1.56 0.00 0.00 34.95 33.14 1kfa s ARG 201 CO 0.88 0.21 1.17 -0.35 -0.81 0.00 0.00 175.30 176.40 1kfa n PRO 202 N 1.25 0.73 0.00 5.12 -0.04 -1.26 -4.89 135.00 135.91 1kfa n PRO 202 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1kfa n PRO 202 Cb 0.54 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1kfa n PRO 202 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1kfa n SER 203 N -0.72 0.00 -4.94 3.54 7.64 -1.17 -4.55 113.62 113.44 1kfa n SER 203 Ca 0.08 0.96 -0.24 0.00 1.01 0.00 0.00 58.87 60.67 1kfa n SER 203 Cb 0.03 -0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 62.77 1kfa n SER 203 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1kfa s GLU 204 N -2.83 3.49 0.15 1.43 0.41 0.81 -5.07 118.70 117.09 1kfa s GLU 204 Ca 0.00 -0.29 -0.23 0.00 -0.41 0.00 0.00 54.97 54.05 1kfa s GLU 204 Cb 0.00 -2.64 -0.08 0.00 -1.78 0.00 0.00 34.13 29.64 1kfa s GLU 204 CO 0.00 0.12 0.72 0.95 -0.49 0.00 0.00 175.26 176.55 1kfa s THR 205 N -2.35 4.50 -0.28 3.63 -4.23 -1.26 -4.44 115.64 111.21 1kfa s THR 205 Ca 0.41 1.50 0.01 0.00 -1.18 0.00 0.00 61.69 62.42 1kfa s THR 205 Cb -0.10 -4.02 0.08 0.00 1.34 0.00 0.00 72.50 69.80 1kfa s THR 205 CO 0.37 0.47 0.03 -0.69 -0.54 0.00 0.00 174.62 174.25 1kfa s VAL 206 N -1.21 1.39 -0.13 2.29 1.01 -1.26 -5.00 120.40 117.49 1kfa s VAL 206 Ca 0.36 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 60.90 1kfa s VAL 206 Cb -0.21 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1kfa s VAL 206 CO 0.23 -0.40 -0.22 -0.89 0.00 0.00 0.00 175.10 173.82 1kfa s THR 207 N 1.40 2.04 -0.08 3.92 2.01 -1.26 -0.44 115.64 123.23 1kfa s THR 207 Ca 0.03 -0.98 -0.17 0.00 0.31 0.00 0.00 61.69 60.89 1kfa s THR 207 Cb -0.18 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1kfa s THR 207 CO -0.13 0.55 0.43 0.00 -0.69 0.00 0.00 174.62 174.78 1kfa s ASN 209 N 0.04 4.37 -0.08 0.00 -0.87 0.13 -1.37 114.94 117.17 1kfa s ASN 209 Ca 0.24 -0.47 0.02 0.00 -1.57 0.00 0.00 52.86 51.08 1kfa s ASN 209 Cb -0.15 -1.74 -0.02 0.00 -0.02 0.00 0.00 41.25 39.31 1kfa s ASN 209 CO 0.11 -0.05 -0.13 0.54 -2.57 0.00 0.00 177.10 174.99 1kfa s VAL 210 N 1.46 3.10 -0.10 1.60 0.11 -0.53 -0.66 120.40 125.38 1kfa s VAL 210 Ca 0.05 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.45 1kfa s VAL 210 Cb -0.15 -2.24 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 1kfa s VAL 210 CO -0.03 0.57 -0.23 0.00 -3.33 0.00 0.00 175.10 172.09 1kfa s ALA 211 N -0.40 2.07 -0.57 1.54 0.00 0.58 -1.74 121.76 123.23 1kfa s ALA 211 Ca 0.05 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.14 1kfa s ALA 211 Cb -0.12 -0.79 0.16 0.00 0.00 0.00 0.00 23.12 22.37 1kfa s ALA 211 CO 0.02 0.27 0.37 -1.58 0.00 0.00 0.00 175.76 174.84 1kfa s HIS 212 N 0.38 2.73 0.21 0.00 2.46 -0.25 -0.69 115.29 120.14 1kfa s HIS 212 Ca -0.18 -2.94 -0.16 0.00 0.47 0.00 0.00 55.06 52.25 1kfa s HIS 212 Cb -0.18 -2.24 0.22 0.00 -0.13 0.00 0.00 32.58 30.26 1kfa s HIS 212 CO 0.08 -0.68 1.59 -1.35 -2.47 0.00 0.00 174.74 171.91 1kfa h PRO 213 N 5.92 -0.07 -0.57 2.88 0.11 -1.83 -1.43 132.00 137.01 1kfa h PRO 213 Ca 0.09 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.29 1kfa h PRO 213 Cb 0.84 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 31.86 1kfa h PRO 213 CO 0.60 -0.05 -0.45 0.00 -0.21 0.00 0.00 178.00 177.89 1kfa h ALA 214 N 1.37 -0.38 -0.22 -0.75 0.00 -1.92 0.25 119.26 117.61 1kfa h ALA 214 Ca 0.31 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1kfa h ALA 214 Cb 0.57 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1kfa h ALA 214 CO -0.78 -0.85 0.00 -1.13 0.00 0.00 0.00 179.25 176.49 1kfa n SER 215 N -5.40 1.31 -3.56 0.00 3.41 -0.92 -4.92 113.62 103.54 1kfa n SER 215 Ca 0.01 -1.91 -0.24 0.00 -0.26 0.00 0.00 58.87 56.47 1kfa n SER 215 Cb 0.35 -0.15 0.03 0.00 -0.26 0.00 0.00 64.21 64.18 1kfa n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kfa n SER 216 N 0.18 -5.81 -3.83 4.04 7.64 0.87 -4.98 113.62 111.74 1kfa n SER 216 Ca 0.10 -0.82 -0.20 0.00 1.01 0.00 0.00 58.87 58.96 1kfa n SER 216 Cb 0.22 -3.60 -0.17 0.00 -1.01 0.00 0.00 64.21 59.66 1kfa n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1kfa s THR 217 N -3.30 0.34 -0.13 0.44 2.01 -0.84 -5.02 115.64 109.13 1kfa s THR 217 Ca 0.32 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.38 1kfa s THR 217 Cb -0.11 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1kfa s THR 217 CO 0.84 0.20 -0.21 -0.54 -0.69 0.00 0.00 174.62 174.22 1kfa s LYS 218 N 1.28 3.08 -0.06 4.92 1.02 -1.26 -1.09 119.74 127.63 1kfa s LYS 218 Ca -0.06 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.11 1kfa s LYS 218 Cb -0.13 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1kfa s LYS 218 CO -0.02 0.05 -0.07 0.08 -0.92 0.00 0.00 175.35 174.47 1kfa s VAL 219 N 0.68 0.77 -0.04 3.17 1.01 -0.71 -5.03 120.40 120.24 1kfa s VAL 219 Ca -0.10 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1kfa s VAL 219 Cb -0.16 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1kfa s VAL 219 CO 0.01 0.28 -0.06 -1.81 0.00 0.00 0.00 175.10 173.53 1kfa s ASP 220 N 0.98 4.69 -0.14 3.32 1.01 -1.26 -1.46 116.67 123.82 1kfa s ASP 220 Ca -0.10 -0.05 -0.03 0.00 0.71 0.00 0.00 52.55 53.09 1kfa s ASP 220 Cb -0.14 -1.16 0.05 0.00 1.01 0.00 0.00 42.92 42.67 1kfa s ASP 220 CO 0.00 0.34 0.03 -0.54 0.21 0.00 0.00 175.17 175.21 1kfa s LYS 221 N -1.03 0.53 0.03 8.23 -0.14 -0.47 -4.98 119.74 121.91 1kfa s LYS 221 Ca 0.14 -0.15 -0.28 0.00 -1.36 0.00 0.00 55.97 54.32 1kfa s LYS 221 Cb -0.11 -1.59 -0.04 0.00 -1.68 0.00 0.00 37.83 34.40 1kfa s LYS 221 CO 0.04 -0.51 0.89 0.21 -0.76 0.00 0.00 175.35 175.22 1kfa s LYS 222 N 1.95 4.57 -0.22 1.68 2.20 -1.26 -0.99 119.74 127.66 1kfa s LYS 222 Ca 0.02 1.28 -0.18 0.00 -0.36 0.00 0.00 55.97 56.72 1kfa s LYS 222 Cb -0.15 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1kfa s LYS 222 CO -0.07 0.10 0.52 0.42 -0.36 0.00 0.00 175.35 175.97 1kfa s ILE 223 N 0.49 5.09 0.29 5.43 -1.09 0.41 -4.97 121.20 126.85 1kfa s ILE 223 Ca 0.46 0.93 0.10 0.00 -2.23 0.00 0.00 60.65 59.91 1kfa s ILE 223 Cb -0.21 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 1kfa s ILE 223 CO 0.26 0.14 -0.15 0.68 -1.23 0.00 0.00 174.94 174.65 1kfa s VAL 224 N 1.87 2.21 -2.00 2.92 -7.23 -1.26 -4.59 120.40 112.31 1kfa s VAL 224 Ca 0.23 -2.29 0.24 0.00 -1.81 0.00 0.00 61.98 58.35 1kfa s VAL 224 Cb -0.15 -2.38 0.68 0.00 0.56 0.00 0.00 36.38 35.08 1kfa s VAL 224 CO 0.09 -0.36 1.78 -2.65 -0.31 0.00 0.00 175.10 173.66