#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f11 n VAL 2 N 0.00 1.23 -3.70 3.84 0.31 -1.26 -4.29 118.33 114.46 1f11 n VAL 2 Ca 0.00 -0.31 -0.18 0.00 -0.01 0.00 0.00 64.34 63.84 1f11 n VAL 2 Cb 0.00 -1.75 -0.17 0.00 -0.91 0.00 0.00 33.84 31.01 1f11 n VAL 2 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1f11 s GLN 3 N -0.82 -0.05 -0.31 5.55 -1.52 0.21 -4.97 119.66 117.75 1f11 s GLN 3 Ca 0.63 0.36 -0.03 0.00 -1.95 0.00 0.00 55.36 54.37 1f11 s GLN 3 Cb -0.55 -0.40 0.05 0.00 -0.22 0.00 0.00 33.01 31.89 1f11 s GLN 3 CO 0.52 -0.28 0.03 -0.51 -0.25 0.00 0.00 175.29 174.80 1f11 s LEU 4 N 1.88 4.07 -0.36 2.90 1.43 -1.26 -1.39 118.68 125.95 1f11 s LEU 4 Ca 0.01 -1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 51.70 1f11 s LEU 4 Cb -0.12 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1f11 s LEU 4 CO -0.03 -0.29 0.17 -1.10 0.23 0.00 0.00 176.35 175.33 1f11 s GLN 5 N 1.27 2.81 0.29 1.70 -0.21 -0.04 -4.09 119.66 121.39 1f11 s GLN 5 Ca -0.04 -1.08 -0.07 0.00 0.02 0.00 0.00 55.36 54.19 1f11 s GLN 5 Cb -0.20 -3.64 -0.06 0.00 1.00 0.00 0.00 33.01 30.11 1f11 s GLN 5 CO -0.01 -0.67 0.58 -0.65 -2.12 0.00 0.00 175.29 172.43 1f11 s GLN 6 N 1.52 3.70 1.12 2.91 -0.21 -1.26 -0.48 119.66 126.96 1f11 s GLN 6 Ca 0.01 0.15 -0.13 0.00 0.02 0.00 0.00 55.36 55.41 1f11 s GLN 6 Cb -0.19 -2.61 0.26 0.00 1.00 0.00 0.00 33.01 31.47 1f11 s GLN 6 CO 0.06 0.21 1.05 -1.54 -2.12 0.00 0.00 175.29 172.94 1f11 s SER 7 N -2.93 1.45 1.28 5.90 1.04 -0.89 -4.98 113.70 114.57 1f11 s SER 7 Ca 0.46 1.35 -0.20 0.00 0.48 0.00 0.00 55.95 58.03 1f11 s SER 7 Cb -0.11 -2.10 0.31 0.00 0.10 0.00 0.00 66.02 64.22 1f11 s SER 7 CO 0.28 -3.88 1.02 0.61 0.98 0.00 0.00 173.24 172.24 1f11 n GLY 8 N 0.10 -2.95 3.75 7.32 0.00 -1.26 -4.71 105.19 107.43 1f11 n GLY 8 Ca 0.03 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 1f11 n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1f11 s PRO 9 N -5.33 1.73 -0.02 1.61 0.02 -1.26 -4.72 135.00 127.04 1f11 s PRO 9 Ca 0.68 0.90 -0.03 0.00 0.02 0.00 0.00 61.00 62.57 1f11 s PRO 9 Cb -0.07 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1f11 s PRO 9 CO 0.53 -1.93 0.07 -1.21 -0.33 0.00 0.00 177.00 174.12 1f11 s GLU 10 N -4.96 0.16 -0.22 5.54 0.41 -0.22 -4.93 118.70 114.48 1f11 s GLU 10 Ca 0.62 -0.05 0.01 0.00 -0.41 0.00 0.00 54.97 55.15 1f11 s GLU 10 Cb -0.17 0.07 0.03 0.00 -1.78 0.00 0.00 34.13 32.28 1f11 s GLU 10 CO 0.56 -0.03 -0.15 -1.17 -0.49 0.00 0.00 175.26 173.99 1f11 s LEU 11 N -0.31 2.72 -0.01 1.80 0.20 -1.26 0.06 118.68 121.87 1f11 s LEU 11 Ca -0.04 -0.92 0.07 0.00 0.69 0.00 0.00 54.13 53.94 1f11 s LEU 11 Cb -0.03 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 44.18 1f11 s LEU 11 CO 0.00 -0.08 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.07 1f11 s VAL 12 N 1.24 1.75 0.33 1.68 1.01 0.34 -4.97 120.40 121.78 1f11 s VAL 12 Ca -0.00 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 1f11 s VAL 12 Cb -0.16 -1.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 1f11 s VAL 12 CO -0.09 0.47 1.16 -0.54 0.00 0.00 0.00 175.10 176.10 1f11 s LYS 13 N -0.58 4.41 0.26 2.72 1.02 -1.26 0.14 119.74 126.45 1f11 s LYS 13 Ca 0.09 1.89 -0.30 0.00 0.02 0.00 0.00 55.97 57.67 1f11 s LYS 13 Cb -0.09 -3.00 -0.11 0.00 -0.52 0.00 0.00 37.83 34.11 1f11 s LYS 13 CO -0.01 -0.02 1.53 -1.25 -0.92 0.00 0.00 175.35 174.68 1f11 s PRO 14 N -1.79 4.19 0.00 -1.68 0.04 -1.26 -1.55 135.00 132.95 1f11 s PRO 14 Ca 0.49 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.97 1f11 s PRO 14 Cb -0.33 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1f11 s PRO 14 CO 0.42 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1f11 n GLY 15 N 2.34 2.69 0.00 0.56 0.00 0.79 -4.95 105.19 106.62 1f11 n GLY 15 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1f11 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f11 n ALA 16 N -0.53 0.00 -2.23 4.61 0.00 -0.59 -4.33 120.51 117.44 1f11 n ALA 16 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1f11 n ALA 16 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1f11 n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1f11 s SER 17 N -1.00 0.34 0.01 0.00 1.04 -1.26 -0.66 113.70 112.17 1f11 s SER 17 Ca 0.00 -1.00 -0.05 0.00 0.48 0.00 0.00 55.95 55.39 1f11 s SER 17 Cb 0.00 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 1f11 s SER 17 CO 0.00 -0.68 0.07 0.54 0.98 0.00 0.00 173.24 174.15 1f11 s VAL 18 N -3.95 0.10 -0.10 5.02 0.11 -0.67 -4.99 120.40 115.92 1f11 s VAL 18 Ca 0.13 -0.79 0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1f11 s VAL 18 Cb 0.07 -0.39 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 1f11 s VAL 18 CO -0.06 -0.44 -0.16 -0.75 -3.33 0.00 0.00 175.10 170.37 1f11 s LYS 19 N -1.47 2.19 0.18 1.54 2.20 -1.26 -0.64 119.74 122.48 1f11 s LYS 19 Ca -0.15 -0.56 0.10 0.00 -0.36 0.00 0.00 55.97 55.00 1f11 s LYS 19 Cb -0.08 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 1f11 s LYS 19 CO 0.00 -0.01 -0.17 0.00 -0.36 0.00 0.00 175.35 174.82 1f11 s MET 20 N 0.82 1.80 0.26 4.03 0.23 0.09 -4.97 119.30 121.56 1f11 s MET 20 Ca -0.10 -1.39 0.11 0.00 -1.03 0.00 0.00 55.69 53.28 1f11 s MET 20 Cb -0.16 -2.01 -0.05 0.00 -1.53 0.00 0.00 34.83 31.09 1f11 s MET 20 CO 0.01 0.42 -0.17 -1.54 -2.03 0.00 0.00 175.02 171.71 1f11 s SER 21 N -2.74 3.74 -0.32 -1.18 1.04 -1.26 -1.27 113.70 111.71 1f11 s SER 21 Ca 0.23 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 1f11 s SER 21 Cb -0.08 -0.39 0.13 0.00 0.10 0.00 0.00 66.02 65.77 1f11 s SER 21 CO 0.13 0.05 0.22 0.00 0.98 0.00 0.00 173.24 174.62 1f11 s LYS 23 N 1.69 4.17 0.07 0.00 2.36 0.37 -1.74 119.74 126.66 1f11 s LYS 23 Ca 0.13 1.29 -0.05 0.00 -2.55 0.00 0.00 55.97 54.79 1f11 s LYS 23 Cb -0.18 -3.70 -0.05 0.00 -1.05 0.00 0.00 37.83 32.85 1f11 s LYS 23 CO -0.18 -0.76 0.31 0.00 1.55 0.00 0.00 175.35 176.27 1f11 s ALA 24 N 3.45 3.84 0.22 3.13 0.00 -0.44 -0.86 121.76 131.12 1f11 s ALA 24 Ca 0.46 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 51.62 1f11 s ALA 24 Cb -0.15 -2.07 0.04 0.00 0.00 0.00 0.00 23.12 20.94 1f11 s ALA 24 CO 0.11 0.68 0.64 -1.54 0.00 0.00 0.00 175.76 175.64 1f11 s SER 25 N -2.07 -0.35 0.00 0.00 1.04 -0.49 -4.82 113.70 107.01 1f11 s SER 25 Ca 0.33 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1f11 s SER 25 Cb -0.13 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1f11 s SER 25 CO 0.21 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1f11 n GLY 26 N -0.41 0.51 3.63 7.32 0.00 -1.26 -0.62 105.19 114.36 1f11 n GLY 26 Ca -0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 1f11 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f11 s TYR 27 N -2.00 -0.12 -0.80 1.61 -0.85 -1.26 -4.18 117.35 109.75 1f11 s TYR 27 Ca 0.00 -0.02 -0.25 0.00 -0.52 0.00 0.00 57.07 56.27 1f11 s TYR 27 Cb 0.00 0.56 -0.00 0.00 0.38 0.00 0.00 41.96 42.90 1f11 s TYR 27 CO 0.00 -0.42 1.66 0.99 -1.52 0.00 0.00 175.55 176.26 1f11 s THR 28 N -2.71 3.58 0.29 -3.49 2.01 -1.26 -4.89 115.64 109.17 1f11 s THR 28 Ca 0.12 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1f11 s THR 28 Cb 0.01 -4.41 0.37 0.00 0.01 0.00 0.00 72.50 68.48 1f11 s THR 28 CO -0.03 -1.35 1.40 0.33 -0.69 0.00 0.00 174.62 174.28 1f11 n PHE 29 N 11.48 0.64 0.19 4.92 7.35 -1.26 -0.54 117.46 140.25 1f11 n PHE 29 Ca 0.24 1.07 0.07 0.00 -0.76 0.00 0.00 57.45 58.07 1f11 n PHE 29 Cb 0.50 -1.22 0.28 0.00 0.35 0.00 0.00 39.48 39.39 1f11 n PHE 29 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1f11 h THR 30 N 0.00 0.65 -0.78 -2.13 1.35 -1.92 -3.30 112.91 106.78 1f11 h THR 30 Ca 0.58 -1.53 0.08 0.00 -0.55 0.00 0.00 66.41 64.98 1f11 h THR 30 Cb 1.26 2.03 -0.05 0.00 -1.73 0.00 0.00 68.15 69.65 1f11 h THR 30 CO -0.82 0.31 0.51 0.44 -0.25 0.00 0.00 175.52 175.72 1f11 h ASP 31 N 0.00 0.70 -4.05 5.36 5.19 -1.23 -3.37 116.42 119.03 1f11 h ASP 31 Ca -0.00 0.01 -0.69 0.00 -0.62 0.00 0.00 57.03 55.73 1f11 h ASP 31 Cb 1.00 -0.14 -0.23 0.00 0.18 0.00 0.00 39.33 40.14 1f11 h ASP 31 CO 0.04 0.44 -0.85 -0.31 -3.12 0.00 0.00 179.24 175.44 1f11 s TYR 32 N -5.71 2.41 0.52 4.55 1.51 -1.24 -5.09 117.35 114.30 1f11 s TYR 32 Ca -0.10 -0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 55.41 1f11 s TYR 32 Cb 0.20 -1.37 -0.06 0.00 -0.11 0.00 0.00 41.96 40.62 1f11 s TYR 32 CO 0.78 0.25 1.18 0.71 -1.11 0.00 0.00 175.55 177.36 1f11 s TYR 33 N -0.94 2.64 -0.21 2.71 1.51 -1.26 -4.47 117.35 117.32 1f11 s TYR 33 Ca 0.14 1.52 -0.05 0.00 -1.01 0.00 0.00 57.07 57.66 1f11 s TYR 33 Cb -0.10 -3.42 -0.02 0.00 -0.11 0.00 0.00 41.96 38.30 1f11 s TYR 33 CO 0.05 -1.84 0.01 1.41 -1.11 0.00 0.00 175.55 174.07 1f11 s MET 34 N -3.04 3.60 0.17 -0.62 1.75 -0.17 -4.28 119.30 116.72 1f11 s MET 34 Ca 0.70 -0.52 0.07 0.00 -1.25 0.00 0.00 55.69 54.69 1f11 s MET 34 Cb -0.29 -3.12 -0.04 0.00 2.84 0.00 0.00 34.83 34.22 1f11 s MET 34 CO 0.33 -0.05 0.02 0.15 -0.65 0.00 0.00 175.02 174.83 1f11 s LYS 35 N 1.16 2.50 -0.06 4.11 1.02 0.45 -0.66 119.74 128.26 1f11 s LYS 35 Ca 0.03 -1.05 0.03 0.00 0.02 0.00 0.00 55.97 55.00 1f11 s LYS 35 Cb -0.14 -2.42 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1f11 s LYS 35 CO 0.02 0.46 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.20 1f11 s TRP 36 N -1.71 1.53 0.09 3.18 0.52 -0.29 0.21 118.94 122.46 1f11 s TRP 36 Ca 0.28 -0.55 0.08 0.00 0.02 0.00 0.00 56.10 55.92 1f11 s TRP 36 Cb -0.10 -1.10 -0.03 0.00 -1.15 0.00 0.00 33.47 31.09 1f11 s TRP 36 CO 0.19 -0.27 -0.19 0.08 0.02 0.00 0.00 176.95 176.78 1f11 s VAL 37 N 0.57 1.59 -0.01 4.03 1.01 0.25 0.47 120.40 128.29 1f11 s VAL 37 Ca -0.13 -1.48 0.06 0.00 0.00 0.00 0.00 61.98 60.43 1f11 s VAL 37 Cb -0.15 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1f11 s VAL 37 CO 0.04 -0.09 -0.20 -1.59 0.00 0.00 0.00 175.10 173.26 1f11 s LYS 38 N -1.85 1.63 -0.03 2.72 -2.85 0.14 -0.13 119.74 119.36 1f11 s LYS 38 Ca 0.05 -0.74 0.02 0.00 -1.00 0.00 0.00 55.97 54.30 1f11 s LYS 38 Cb -0.10 -1.58 0.00 0.00 -2.06 0.00 0.00 37.83 34.09 1f11 s LYS 38 CO 0.04 0.43 -0.09 -1.14 0.10 0.00 0.00 175.35 174.69 1f11 s GLN 39 N -0.52 0.96 -0.17 1.78 0.74 0.13 -0.46 119.66 122.12 1f11 s GLN 39 Ca 0.08 -0.29 -0.00 0.00 0.05 0.00 0.00 55.36 55.19 1f11 s GLN 39 Cb -0.08 -0.89 0.00 0.00 1.10 0.00 0.00 33.01 33.14 1f11 s GLN 39 CO -0.01 0.10 -0.14 -1.54 -0.55 0.00 0.00 175.29 173.15 1f11 s SER 40 N 0.25 3.67 0.00 6.67 1.04 -1.19 -0.33 113.70 123.81 1f11 s SER 40 Ca -0.04 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1f11 s SER 40 Cb -0.09 -1.58 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1f11 s SER 40 CO 0.01 0.05 0.00 1.41 0.98 0.00 0.00 173.24 175.68 1f11 n HIS 41 N 4.32 0.00 0.00 5.02 8.25 -1.26 0.13 115.22 131.68 1f11 n HIS 41 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1f11 n HIS 41 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1f11 n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f11 n GLY 42 N 0.00 0.00 1.92 -1.41 0.00 -1.26 -4.85 105.19 99.59 1f11 n GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1f11 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f11 n LYS 43 N -0.82 -3.66 -3.16 1.61 5.02 0.35 -5.10 118.16 112.40 1f11 n LYS 43 Ca 0.00 2.80 0.04 0.00 -2.02 0.00 0.00 58.31 59.13 1f11 n LYS 43 Cb 0.00 -3.43 -0.03 0.00 -0.02 0.00 0.00 35.03 31.55 1f11 n LYS 43 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1f11 s SER 44 N -0.42 -0.02 0.15 4.39 1.04 -1.26 -4.90 113.70 112.69 1f11 s SER 44 Ca 0.00 0.03 -0.25 0.00 0.48 0.00 0.00 55.95 56.21 1f11 s SER 44 Cb 0.00 1.03 -0.08 0.00 0.10 0.00 0.00 66.02 67.07 1f11 s SER 44 CO 0.00 -0.00 0.75 -0.76 0.98 0.00 0.00 173.24 174.21 1f11 s LEU 45 N 2.30 4.59 -0.01 2.42 1.43 -1.26 -3.14 118.68 125.00 1f11 s LEU 45 Ca -0.03 1.60 0.01 0.00 -1.03 0.00 0.00 54.13 54.68 1f11 s LEU 45 Cb -0.03 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.95 1f11 s LEU 45 CO -0.13 0.22 -0.04 -1.61 0.23 0.00 0.00 176.35 175.01 1f11 s GLU 46 N -1.12 0.44 0.08 1.70 2.02 0.39 -4.98 118.70 117.22 1f11 s GLU 46 Ca 0.35 -0.11 -0.27 0.00 0.02 0.00 0.00 54.97 54.95 1f11 s GLU 46 Cb -0.23 -0.46 -0.06 0.00 0.10 0.00 0.00 34.13 33.48 1f11 s GLU 46 CO 0.25 0.03 0.85 -0.46 0.02 0.00 0.00 175.26 175.95 1f11 s TRP 47 N 0.25 3.78 -0.16 1.61 -0.00 -1.26 -0.69 118.94 122.47 1f11 s TRP 47 Ca -0.03 1.62 -0.14 0.00 -0.00 0.00 0.00 56.10 57.55 1f11 s TRP 47 Cb -0.06 -2.92 -0.05 0.00 -0.00 0.00 0.00 33.47 30.45 1f11 s TRP 47 CO -0.00 0.26 -0.27 -0.89 -0.00 0.00 0.00 176.95 176.04 1f11 n ILE 48 N 2.73 1.42 0.00 5.86 5.41 0.17 -4.65 119.36 130.31 1f11 n ILE 48 Ca -0.01 0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.92 1f11 n ILE 48 Cb 0.50 -2.34 0.00 0.00 -0.71 0.00 0.00 39.64 37.08 1f11 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1f11 n GLY 49 N 1.53 0.40 3.64 7.39 0.00 -1.20 0.26 105.19 117.19 1f11 n GLY 49 Ca -0.11 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 1f11 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f11 s ASP 50 N 0.00 4.09 -0.09 1.61 1.11 0.13 -1.14 116.67 122.38 1f11 s ASP 50 Ca 0.00 -1.13 -0.07 0.00 0.18 0.00 0.00 52.55 51.52 1f11 s ASP 50 Cb 0.00 -0.46 0.03 0.00 1.07 0.00 0.00 42.92 43.55 1f11 s ASP 50 CO 0.00 -0.35 0.23 -0.51 1.18 0.00 0.00 175.17 175.72 1f11 s ILE 51 N -2.60 -0.01 -0.57 0.77 2.07 0.17 -0.74 121.20 120.30 1f11 s ILE 51 Ca 0.36 0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.42 1f11 s ILE 51 Cb 0.04 -0.33 0.07 0.00 0.13 0.00 0.00 42.46 42.37 1f11 s ILE 51 CO 0.19 0.01 0.75 0.21 -1.91 0.00 0.00 174.94 174.19 1f11 s ASN 52 N 0.29 6.21 0.40 4.50 3.84 0.19 -1.00 114.94 129.38 1f11 s ASN 52 Ca -0.01 -1.04 0.21 0.00 0.21 0.00 0.00 52.86 52.23 1f11 s ASN 52 Cb -0.03 -2.33 1.18 0.00 -0.55 0.00 0.00 41.25 39.51 1f11 s ASN 52 CO -0.01 -1.10 1.72 1.55 -2.79 0.00 0.00 177.10 176.46 1f11 h PRO 52 N 9.20 0.30 0.29 0.43 0.13 -1.82 0.54 132.00 141.07 1f11 h PRO 52 Ca -0.28 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1f11 h PRO 52 Cb 1.09 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1f11 h PRO 52 CO 1.06 0.20 -0.22 -0.97 -0.23 0.00 0.00 178.00 177.84 1f11 h ASN 53 N 0.31 -0.58 -0.37 1.44 -0.00 -1.89 -3.34 115.58 111.16 1f11 h ASN 53 Ca 0.67 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 57.01 1f11 h ASN 53 Cb 1.80 0.18 0.00 0.00 -0.00 0.00 0.00 38.32 40.30 1f11 h ASN 53 CO -0.38 -0.32 0.00 -0.46 -0.00 0.00 0.00 177.43 176.28 1f11 n ASN 54 N -3.66 3.00 -0.95 1.15 6.94 -1.10 -4.95 115.26 115.70 1f11 n ASN 54 Ca -0.06 -1.93 -0.10 0.00 -0.02 0.00 0.00 54.58 52.47 1f11 n ASN 54 Cb 0.21 -0.24 -0.02 0.00 -2.36 0.00 0.00 39.78 37.37 1f11 n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f11 n GLY 55 N 0.80 0.58 3.75 4.83 0.00 0.19 -4.97 105.19 110.37 1f11 n GLY 55 Ca 0.14 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1f11 n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f11 s GLY 56 N -2.73 2.82 -0.01 -0.02 0.00 -1.12 -4.70 107.32 101.56 1f11 s GLY 56 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.87 1f11 s GLY 56 CO 0.00 1.59 -0.00 -1.59 0.00 0.00 0.00 173.10 173.10 1f11 s THR 57 N -1.45 0.09 -0.11 0.90 2.01 -1.26 0.57 115.64 116.39 1f11 s THR 57 Ca 0.76 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.79 1f11 s THR 57 Cb -0.35 -0.13 0.02 0.00 0.01 0.00 0.00 72.50 72.04 1f11 s THR 57 CO 0.39 0.07 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.40 1f11 s GLY 58 N 0.39 1.04 -0.02 4.40 0.00 0.08 -4.97 107.32 108.24 1f11 s GLY 58 Ca -0.03 -0.74 0.07 0.00 0.00 0.00 0.00 44.72 44.01 1f11 s GLY 58 CO -0.01 0.25 -0.22 -0.19 0.00 0.00 0.00 173.10 172.93 1f11 s TYR 59 N 1.01 1.99 -0.10 1.90 2.02 -1.26 0.17 117.35 123.09 1f11 s TYR 59 Ca -0.06 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 55.93 1f11 s TYR 59 Cb -0.15 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 1f11 s TYR 59 CO -0.02 -0.06 1.38 1.21 -1.57 0.00 0.00 175.55 176.49 1f11 s ASN 60 N -0.44 6.87 0.22 2.29 3.84 0.14 -4.88 114.94 122.99 1f11 s ASN 60 Ca 0.06 1.92 0.00 0.00 0.21 0.00 0.00 52.86 55.05 1f11 s ASN 60 Cb -0.09 -2.54 0.52 0.00 -0.55 0.00 0.00 41.25 38.59 1f11 s ASN 60 CO -0.00 -0.77 1.15 1.67 -2.79 0.00 0.00 177.10 176.35 1f11 n GLN 61 N 6.35 -0.06 -0.35 0.43 -0.06 -1.26 0.56 117.38 122.99 1f11 n GLN 61 Ca 0.14 1.11 0.13 0.00 -2.00 0.00 0.00 57.00 56.38 1f11 n GLN 61 Cb 0.44 -1.74 0.32 0.00 -4.06 0.00 0.00 30.24 25.20 1f11 n GLN 61 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1f11 h LYS 62 N 0.00 0.74 -0.50 3.69 1.57 -1.95 -2.16 116.57 117.96 1f11 h LYS 62 Ca 0.43 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1f11 h LYS 62 Cb 0.85 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1f11 h LYS 62 CO -0.70 0.49 0.00 1.19 -0.57 0.00 0.00 179.45 179.86 1f11 n PHE 63 N -4.75 0.66 -2.28 -1.35 3.01 0.19 -4.79 117.46 108.15 1f11 n PHE 63 Ca 0.23 -0.33 -0.43 0.00 1.01 0.00 0.00 57.45 57.93 1f11 n PHE 63 Cb 0.57 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.01 1f11 n PHE 63 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1f11 s LYS 64 N -1.34 4.23 0.00 -1.08 2.20 -0.82 -1.05 119.74 121.89 1f11 s LYS 64 Ca 0.39 1.85 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1f11 s LYS 64 Cb 0.21 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1f11 s LYS 64 CO 0.28 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 1f11 n GLY 65 N 3.76 3.08 0.12 5.54 0.00 -1.26 -4.81 105.19 111.63 1f11 n GLY 65 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1f11 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1f11 n LYS 66 N -0.60 0.63 -3.93 1.61 3.00 -0.91 -4.73 118.16 113.24 1f11 n LYS 66 Ca 0.00 0.40 -0.31 0.00 -0.00 0.00 0.00 58.31 58.40 1f11 n LYS 66 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 35.03 33.31 1f11 n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f11 s ALA 67 N -2.46 3.99 -0.37 3.14 0.00 -0.21 -1.26 121.76 124.58 1f11 s ALA 67 Ca -0.29 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1f11 s ALA 67 Cb 0.08 -1.81 0.15 0.00 0.00 0.00 0.00 23.12 21.54 1f11 s ALA 67 CO 0.63 0.82 0.30 0.99 0.00 0.00 0.00 175.76 178.51 1f11 s THR 68 N -1.51 -0.03 0.34 0.00 2.01 -0.13 -4.80 115.64 111.52 1f11 s THR 68 Ca 0.35 -1.60 -0.28 0.00 0.31 0.00 0.00 61.69 60.47 1f11 s THR 68 Cb -0.13 -0.95 -0.10 0.00 0.01 0.00 0.00 72.50 71.33 1f11 s THR 68 CO 0.28 -0.86 1.31 -0.76 -0.69 0.00 0.00 174.62 173.89 1f11 s LEU 69 N 1.02 4.40 0.11 4.42 1.43 -1.26 -2.73 118.68 126.07 1f11 s LEU 69 Ca 0.20 2.69 -0.11 0.00 -1.03 0.00 0.00 54.13 55.89 1f11 s LEU 69 Cb -0.15 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.40 1f11 s LEU 69 CO -0.04 -0.57 0.27 -0.89 0.23 0.00 0.00 176.35 175.35 1f11 s THR 70 N -1.15 0.11 0.10 5.49 2.01 -0.11 -4.99 115.64 117.10 1f11 s THR 70 Ca 0.50 -1.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1f11 s THR 70 Cb -0.40 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 1f11 s THR 70 CO 0.53 -0.49 0.19 0.54 -0.69 0.00 0.00 174.62 174.69 1f11 s VAL 71 N -3.87 0.13 -0.30 3.82 0.11 -1.26 -0.34 120.40 118.69 1f11 s VAL 71 Ca 0.07 -1.29 -0.03 0.00 -2.93 0.00 0.00 61.98 57.79 1f11 s VAL 71 Cb 0.04 -1.48 0.10 0.00 -1.53 0.00 0.00 36.38 33.51 1f11 s VAL 71 CO -0.09 -0.59 0.13 -0.62 -3.33 0.00 0.00 175.10 170.59 1f11 s ASP 72 N -2.89 3.64 0.16 3.54 2.15 0.27 -4.95 116.67 118.59 1f11 s ASP 72 Ca 0.08 -1.43 -0.21 0.00 0.43 0.00 0.00 52.55 51.42 1f11 s ASP 72 Cb 0.05 -0.49 0.07 0.00 -0.30 0.00 0.00 42.92 42.24 1f11 s ASP 72 CO -0.08 -0.43 1.63 0.11 -0.17 0.00 0.00 175.17 176.23 1f11 h LYS 73 N 8.25 -0.18 -0.15 4.34 1.57 -1.87 -1.26 116.57 127.27 1f11 h LYS 73 Ca -0.17 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1f11 h LYS 73 Cb 1.01 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1f11 h LYS 73 CO 0.44 -0.12 0.26 0.66 -0.57 0.00 0.00 179.45 180.12 1f11 h SER 74 N -0.19 0.00 -0.07 0.86 4.64 -1.97 -1.22 113.55 115.60 1f11 h SER 74 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1f11 h SER 74 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1f11 h SER 74 CO -0.44 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 173.98 1f11 n SER 75 N -3.45 1.90 -4.00 4.97 3.41 -0.93 -4.98 113.62 110.53 1f11 n SER 75 Ca 0.01 -1.64 -0.30 0.00 -0.26 0.00 0.00 58.87 56.68 1f11 n SER 75 Cb 0.36 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1f11 n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1f11 n SER 76 N 0.03 -2.86 -4.23 4.04 7.64 -0.46 -4.76 113.62 113.00 1f11 n SER 76 Ca 0.03 -0.91 -0.30 0.00 1.01 0.00 0.00 58.87 58.70 1f11 n SER 76 Cb 0.22 -3.34 -0.16 0.00 -1.01 0.00 0.00 64.21 59.92 1f11 n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1f11 s THR 77 N -3.49 1.93 -0.05 0.44 2.01 -0.95 -1.32 115.64 114.20 1f11 s THR 77 Ca 0.46 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 1f11 s THR 77 Cb -0.24 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1f11 s THR 77 CO 0.87 0.54 0.09 0.00 -0.69 0.00 0.00 174.62 175.43 1f11 s ALA 78 N -0.05 3.64 0.09 7.40 0.00 -0.71 -0.56 121.76 131.56 1f11 s ALA 78 Ca -0.06 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.19 1f11 s ALA 78 Cb -0.14 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 1f11 s ALA 78 CO 0.04 0.66 -0.18 0.71 0.00 0.00 0.00 175.76 176.99 1f11 s TYR 79 N -1.10 1.55 -0.02 0.00 2.02 0.54 0.36 117.35 120.70 1f11 s TYR 79 Ca 0.19 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1f11 s TYR 79 Cb -0.12 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.60 1f11 s TYR 79 CO 0.09 0.14 -0.02 1.41 -1.57 0.00 0.00 175.55 175.60 1f11 s MET 80 N -1.78 0.38 -0.08 -0.62 -2.45 -0.40 -0.93 119.30 113.41 1f11 s MET 80 Ca 0.03 -0.02 0.04 0.00 -1.25 0.00 0.00 55.69 54.49 1f11 s MET 80 Cb -0.10 -0.47 0.00 0.00 1.25 0.00 0.00 34.83 35.51 1f11 s MET 80 CO 0.03 -0.06 -0.20 -1.14 1.05 0.00 0.00 175.02 174.71 1f11 s GLN 81 N 0.65 2.50 -0.19 4.11 0.74 -1.10 -0.73 119.66 125.64 1f11 s GLN 81 Ca -0.07 -0.71 -0.06 0.00 0.05 0.00 0.00 55.36 54.57 1f11 s GLN 81 Cb -0.10 -1.95 -0.03 0.00 1.10 0.00 0.00 33.01 32.03 1f11 s GLN 81 CO -0.01 0.14 0.03 -0.51 -0.55 0.00 0.00 175.29 174.39 1f11 s LEU 82 N 0.41 3.48 0.22 3.68 1.43 0.19 -0.96 118.68 127.13 1f11 s LEU 82 Ca -0.16 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.90 1f11 s LEU 82 Cb -0.17 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1f11 s LEU 82 CO 0.07 0.11 0.31 0.20 0.23 0.00 0.00 176.35 177.27 1f11 s ASN 82 N 0.75 6.19 -1.15 2.29 0.01 -0.39 -1.67 114.94 120.97 1f11 s ASN 82 Ca 0.01 0.04 -0.20 0.00 -0.71 0.00 0.00 52.86 52.01 1f11 s ASN 82 Cb -0.14 -1.80 0.03 0.00 0.41 0.00 0.00 41.25 39.75 1f11 s ASN 82 CO 0.02 -0.03 0.38 -1.20 -1.51 0.00 0.00 177.10 174.75 1f11 n SER 82 N -1.14 -1.97 -4.63 -1.22 7.64 -1.09 -4.84 113.62 106.38 1f11 n SER 82 Ca -0.08 -1.13 -0.38 0.00 1.01 0.00 0.00 58.87 58.29 1f11 n SER 82 Cb 0.56 -1.37 0.05 0.00 -1.01 0.00 0.00 64.21 62.45 1f11 n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f11 n LEU 82 N -4.38 3.80 -4.05 -3.43 4.77 0.16 -4.61 117.00 109.26 1f11 n LEU 82 Ca -0.16 0.83 -0.10 0.00 -0.03 0.00 0.00 56.01 56.55 1f11 n LEU 82 Cb 0.53 -1.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.13 1f11 n LEU 82 CO 0.68 -1.72 -0.15 0.42 -1.33 0.00 0.00 177.39 175.29 1f11 s THR 83 N -1.48 0.08 0.58 -5.08 -4.23 -1.26 -0.15 115.64 104.10 1f11 s THR 83 Ca 0.75 -1.65 0.29 0.00 -1.18 0.00 0.00 61.69 59.90 1f11 s THR 83 Cb -0.43 -1.97 0.40 0.00 1.34 0.00 0.00 72.50 71.85 1f11 s THR 83 CO 0.48 -0.35 1.88 0.77 -0.54 0.00 0.00 174.62 176.85 1f11 h SER 84 N 2.68 0.00 0.10 3.99 4.64 -1.96 0.39 113.55 123.39 1f11 h SER 84 Ca -0.33 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.95 1f11 h SER 84 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1f11 h SER 84 CO 0.53 0.00 -0.14 -0.33 -0.87 0.00 0.00 176.83 176.02 1f11 h GLU 85 N 0.00 0.10 -0.04 4.77 3.07 -1.96 -1.42 114.58 119.11 1f11 h GLU 85 Ca 0.26 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1f11 h GLU 85 Cb 1.31 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1f11 h GLU 85 CO -0.00 0.25 0.00 -0.25 -1.40 0.00 0.00 179.01 177.61 1f11 n ASP 86 N -4.32 0.04 -4.56 1.42 8.00 0.14 -4.65 116.55 112.61 1f11 n ASP 86 Ca -0.02 -1.73 -0.43 0.00 0.71 0.00 0.00 54.79 53.33 1f11 n ASP 86 Cb 0.24 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.27 1f11 n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1f11 s SER 87 N -1.09 6.47 0.00 -2.24 0.01 -0.54 -4.78 113.70 111.53 1f11 s SER 87 Ca 0.00 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1f11 s SER 87 Cb 0.00 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1f11 s SER 87 CO 0.00 -0.82 0.00 0.00 0.41 0.00 0.00 173.24 172.83 1f11 n ALA 88 N 6.55 0.00 -2.79 1.44 0.00 -0.95 -4.73 120.51 120.03 1f11 n ALA 88 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 1f11 n ALA 88 Cb 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 1f11 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1f11 s VAL 89 N -2.31 3.40 -0.15 0.00 1.01 0.55 -1.37 120.40 121.53 1f11 s VAL 89 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1f11 s VAL 89 Cb 0.00 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 1f11 s VAL 89 CO 0.00 0.55 -0.17 -0.31 0.00 0.00 0.00 175.10 175.17 1f11 s TYR 90 N -0.19 2.75 0.15 5.22 2.02 -0.54 0.21 117.35 126.97 1f11 s TYR 90 Ca 0.01 -1.07 0.08 0.00 -0.37 0.00 0.00 57.07 55.72 1f11 s TYR 90 Cb -0.13 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1f11 s TYR 90 CO 0.03 -0.48 -0.09 0.71 -1.57 0.00 0.00 175.55 174.14 1f11 s TYR 91 N 0.76 2.69 0.01 2.71 2.02 0.81 -1.87 117.35 124.47 1f11 s TYR 91 Ca -0.07 -0.19 0.07 0.00 -0.37 0.00 0.00 57.07 56.51 1f11 s TYR 91 Cb -0.16 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1f11 s TYR 91 CO 0.01 0.47 -0.20 0.00 -1.57 0.00 0.00 175.55 174.26 1f11 s ALA 93 N -0.82 1.10 0.20 0.00 0.00 0.13 -1.18 121.76 121.19 1f11 s ALA 93 Ca 0.13 -1.67 -0.15 0.00 0.00 0.00 0.00 51.96 50.27 1f11 s ALA 93 Cb -0.10 1.31 0.02 0.00 0.00 0.00 0.00 23.12 24.35 1f11 s ALA 93 CO 0.03 -0.70 0.47 0.54 0.00 0.00 0.00 175.76 176.10 1f11 s ASN 94 N -3.23 -0.17 -0.46 0.00 4.22 -0.81 -0.41 114.94 114.07 1f11 s ASN 94 Ca 0.35 -0.62 0.04 0.00 -2.14 0.00 0.00 52.86 50.48 1f11 s ASN 94 Cb 0.03 0.56 0.51 0.00 1.28 0.00 0.00 41.25 43.62 1f11 s ASN 94 CO 0.19 -1.04 1.71 -0.67 -2.04 0.00 0.00 177.10 175.25 1f11 n ASP 95 N -0.32 5.07 -4.64 3.54 2.03 -1.26 -2.07 116.55 118.90 1f11 n ASP 95 Ca -0.08 -3.75 -0.50 0.00 0.52 0.00 0.00 54.79 50.98 1f11 n ASP 95 Cb 0.62 -0.75 -0.06 0.00 -0.72 0.00 0.00 41.12 40.22 1f11 n ASP 95 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f11 n TYR 96 N -0.98 2.11 0.00 -0.67 9.36 -1.26 0.80 117.16 126.53 1f11 n TYR 96 Ca 0.52 0.15 0.00 0.00 3.32 0.00 0.00 57.90 61.89 1f11 n TYR 96 Cb 1.02 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 37.13 1f11 n TYR 96 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1f11 n GLY 97 N 4.88 0.76 3.92 2.98 0.00 -1.26 -4.74 105.19 111.73 1f11 n GLY 97 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 1f11 n GLY 97 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f11 n SER 98 N 0.00 -4.63 -0.24 1.61 7.64 0.24 -4.83 113.62 113.40 1f11 n SER 98 Ca 0.00 -1.17 0.13 0.00 1.01 0.00 0.00 58.87 58.85 1f11 n SER 98 Cb 0.00 -2.23 0.48 0.00 -1.01 0.00 0.00 64.21 61.44 1f11 n SER 98 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1f11 n THR 99 N -4.53 0.00 -2.94 0.44 -2.24 -1.26 -4.90 114.28 98.84 1f11 n THR 99 Ca -0.12 -0.13 -0.19 0.00 -2.27 0.00 0.00 64.05 61.35 1f11 n THR 99 Cb 0.58 0.26 0.03 0.00 -2.10 0.00 0.00 70.33 69.11 1f11 n THR 99 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1f11 n TYR 100 N -0.60 -1.71 -1.98 4.78 4.01 -1.26 -4.95 117.16 115.45 1f11 n TYR 100 Ca 0.14 0.48 0.00 0.00 -0.16 0.00 0.00 57.90 58.36 1f11 n TYR 100 Cb 0.33 -3.95 0.00 0.00 -0.31 0.00 0.00 39.34 35.40 1f11 n TYR 100 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1f11 n GLY 100 N -1.43 4.21 3.18 2.72 0.00 -1.26 -5.10 105.19 107.51 1f11 n GLY 100 Ca -0.08 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 1f11 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f11 s PHE 100 N -1.04 3.49 -0.12 1.61 0.40 -1.26 -4.43 117.98 116.62 1f11 s PHE 100 Ca 0.00 -2.17 -0.28 0.00 -0.60 0.00 0.00 56.93 53.88 1f11 s PHE 100 Cb 0.00 -3.42 -0.25 0.00 0.51 0.00 0.00 43.02 39.86 1f11 s PHE 100 CO 0.00 -0.96 0.85 0.00 0.70 0.00 0.00 175.22 175.81 1f11 h ALA 101 N 8.00 -0.00 -4.11 5.36 0.00 -1.75 -3.47 119.26 123.29 1f11 h ALA 101 Ca -0.12 -0.45 -0.69 0.00 0.00 0.00 0.00 54.91 53.65 1f11 h ALA 101 Cb 1.04 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.59 1f11 h ALA 101 CO 0.79 -0.05 -0.80 0.71 0.00 0.00 0.00 179.25 179.90 1f11 s TYR 102 N -2.58 2.58 0.14 0.00 1.51 -0.98 -5.00 117.35 113.03 1f11 s TYR 102 Ca -0.18 -0.25 0.06 0.00 -1.01 0.00 0.00 57.07 55.69 1f11 s TYR 102 Cb -0.02 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1f11 s TYR 102 CO 0.68 0.17 -0.14 -1.58 -1.11 0.00 0.00 175.55 173.58 1f11 s TRP 103 N -0.79 1.47 0.94 2.71 0.52 -1.26 -1.93 118.94 120.60 1f11 s TRP 103 Ca 0.12 -0.58 -0.14 0.00 0.02 0.00 0.00 56.10 55.52 1f11 s TRP 103 Cb -0.10 -0.75 0.20 0.00 -1.15 0.00 0.00 33.47 31.67 1f11 s TRP 103 CO 0.02 0.19 1.29 0.20 0.02 0.00 0.00 176.95 178.67 1f11 s GLY 104 N -2.71 1.79 0.00 0.98 0.00 -0.33 -4.65 107.32 102.41 1f11 s GLY 104 Ca 0.13 -1.30 0.27 0.00 0.00 0.00 0.00 44.72 43.82 1f11 s GLY 104 CO 0.04 -0.54 1.83 0.61 0.00 0.00 0.00 173.10 175.04 1f11 n GLN 105 N -3.68 1.45 0.00 2.90 -0.00 -1.26 -4.84 117.38 111.95 1f11 n GLN 105 Ca 0.16 -0.66 0.00 0.00 -0.00 0.00 0.00 57.00 56.50 1f11 n GLN 105 Cb 0.59 -1.45 0.00 0.00 -0.00 0.00 0.00 30.24 29.38 1f11 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1f11 n GLY 106 N 1.09 0.60 2.73 2.61 0.00 -1.26 -5.04 105.19 105.91 1f11 n GLY 106 Ca 0.19 -1.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.29 1f11 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f11 s THR 107 N -2.97 0.01 -0.27 2.61 2.01 -0.78 -4.83 115.64 111.42 1f11 s THR 107 Ca 0.00 0.29 -0.18 0.00 0.31 0.00 0.00 61.69 62.11 1f11 s THR 107 Cb 0.00 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 1f11 s THR 107 CO 0.00 0.17 0.52 -0.22 -0.69 0.00 0.00 174.62 174.40 1f11 s LEU 108 N 1.74 4.07 -0.17 4.42 2.96 -1.26 -1.46 118.68 128.97 1f11 s LEU 108 Ca -0.00 0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1f11 s LEU 108 Cb -0.12 -2.68 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 1f11 s LEU 108 CO -0.03 -0.31 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.93 1f11 s VAL 109 N 2.34 3.39 -0.23 1.68 1.01 -0.47 -1.05 120.40 127.06 1f11 s VAL 109 Ca 0.21 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1f11 s VAL 109 Cb -0.16 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1f11 s VAL 109 CO 0.09 0.48 -0.08 -0.89 0.00 0.00 0.00 175.10 174.70 1f11 s THR 110 N 0.78 2.85 -0.42 3.92 2.01 0.11 -2.24 115.64 122.64 1f11 s THR 110 Ca -0.03 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 60.88 1f11 s THR 110 Cb -0.15 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.00 1f11 s THR 110 CO 0.02 0.30 0.56 -0.69 -0.69 0.00 0.00 174.62 174.12 1f11 s VAL 111 N 1.35 4.94 -0.24 3.82 1.01 -1.26 -0.51 120.40 129.51 1f11 s VAL 111 Ca 0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 1f11 s VAL 111 Cb -0.16 -4.12 0.09 0.00 0.00 0.00 0.00 36.38 32.19 1f11 s VAL 111 CO -0.06 -0.49 0.81 -0.55 0.00 0.00 0.00 175.10 174.81 1f11 s SER 112 N 1.91 -0.65 0.00 3.32 0.15 0.12 -4.58 113.70 113.97 1f11 s SER 112 Ca 0.19 1.18 0.18 0.00 0.70 0.00 0.00 55.95 58.19 1f11 s SER 112 Cb -0.15 1.17 0.80 0.00 -1.71 0.00 0.00 66.02 66.12 1f11 s SER 112 CO 0.16 -0.27 1.58 0.00 1.20 0.00 0.00 173.24 175.92 1f11 n ALA 113 N 2.29 1.85 -1.42 5.45 0.00 -1.26 -4.12 120.51 123.29 1f11 n ALA 113 Ca -0.14 -0.07 -0.33 0.00 0.00 0.00 0.00 53.44 52.90 1f11 n ALA 113 Cb 0.56 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 18.78 1f11 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f11 s ALA 114 N -2.95 2.29 0.20 0.00 0.00 -1.26 -5.04 121.76 115.00 1f11 s ALA 114 Ca 0.10 0.69 -0.07 0.00 0.00 0.00 0.00 51.96 52.68 1f11 s ALA 114 Cb 0.12 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 1f11 s ALA 114 CO 0.33 -1.57 0.47 0.15 0.00 0.00 0.00 175.76 175.14 1f11 s LYS 115 N -4.03 3.70 0.12 0.00 1.02 -1.26 -5.04 119.74 114.24 1f11 s LYS 115 Ca 0.70 0.07 -0.30 0.00 0.02 0.00 0.00 55.97 56.46 1f11 s LYS 115 Cb -0.24 -2.74 -0.06 0.00 -0.52 0.00 0.00 37.83 34.27 1f11 s LYS 115 CO 0.43 0.37 1.13 0.95 -0.92 0.00 0.00 175.35 177.32 1f11 s THR 116 N -1.78 4.00 -0.11 2.17 -4.23 -1.26 -4.84 115.64 109.59 1f11 s THR 116 Ca 0.44 1.58 0.03 0.00 -1.18 0.00 0.00 61.69 62.56 1f11 s THR 116 Cb -0.12 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 69.71 1f11 s THR 116 CO 0.24 0.20 -0.22 -0.89 -0.54 0.00 0.00 174.62 173.41 1f11 s THR 117 N 0.35 2.21 0.66 3.99 2.01 0.07 -4.97 115.64 119.96 1f11 s THR 117 Ca 0.53 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 61.44 1f11 s THR 117 Cb -0.29 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1f11 s THR 117 CO 0.32 0.55 1.07 -2.84 -0.69 0.00 0.00 174.62 173.03 1f11 s PRO 118 N 0.46 2.99 0.54 4.92 0.02 -1.26 -1.19 135.00 141.48 1f11 s PRO 118 Ca -0.15 1.15 -0.12 0.00 0.02 0.00 0.00 61.00 61.90 1f11 s PRO 118 Cb -0.17 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.30 1f11 s PRO 118 CO 0.06 -1.07 0.95 -1.25 -0.33 0.00 0.00 177.00 175.36 1f11 s PRO 119 N -4.47 3.74 -0.32 5.54 0.04 -1.26 -4.46 135.00 133.81 1f11 s PRO 119 Ca 0.62 0.71 -0.09 0.00 0.04 0.00 0.00 61.00 62.28 1f11 s PRO 119 Cb -0.16 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1f11 s PRO 119 CO 0.45 -0.35 0.15 -1.12 0.04 0.00 0.00 177.00 176.17 1f11 s SER 120 N -3.65 5.51 -0.36 6.66 0.01 -0.15 -4.93 113.70 116.80 1f11 s SER 120 Ca 0.55 -0.62 -0.16 0.00 1.31 0.00 0.00 55.95 57.03 1f11 s SER 120 Cb -0.10 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 1f11 s SER 120 CO 0.42 -0.22 0.39 -0.69 0.41 0.00 0.00 173.24 173.55 1f11 s VAL 121 N 1.59 5.14 -0.11 3.43 1.01 -1.26 -1.74 120.40 128.45 1f11 s VAL 121 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1f11 s VAL 121 Cb -0.17 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1f11 s VAL 121 CO 0.06 -0.16 -0.17 -0.31 0.00 0.00 0.00 175.10 174.51 1f11 s TYR 122 N 2.08 2.70 0.43 5.22 2.02 0.07 -4.98 117.35 124.89 1f11 s TYR 122 Ca 0.13 -0.78 -0.18 0.00 -0.37 0.00 0.00 57.07 55.87 1f11 s TYR 122 Cb -0.16 -1.78 -0.10 0.00 -0.40 0.00 0.00 41.96 39.52 1f11 s TYR 122 CO 0.12 -0.27 0.91 -1.25 -1.57 0.00 0.00 175.55 173.49 1f11 s PRO 123 N 0.29 4.10 -0.28 -1.71 0.04 -1.26 -0.38 135.00 135.80 1f11 s PRO 123 Ca -0.13 0.97 0.03 0.00 0.04 0.00 0.00 61.00 61.91 1f11 s PRO 123 Cb -0.16 -2.23 0.07 0.00 0.04 0.00 0.00 34.50 32.22 1f11 s PRO 123 CO 0.07 -0.05 -0.06 -0.51 0.04 0.00 0.00 177.00 176.49 1f11 s LEU 124 N -3.38 3.68 0.13 -3.56 1.43 0.11 -4.85 118.68 112.24 1f11 s LEU 124 Ca 0.59 -1.59 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 1f11 s LEU 124 Cb -0.09 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1f11 s LEU 124 CO 0.19 -0.25 0.11 0.00 0.23 0.00 0.00 176.35 176.63 1f11 s ALA 125 N 1.09 3.56 0.11 4.21 0.00 -1.26 -1.62 121.76 127.85 1f11 s ALA 125 Ca -0.03 -1.14 -0.28 0.00 0.00 0.00 0.00 51.96 50.51 1f11 s ALA 125 Cb -0.20 -1.39 -0.10 0.00 0.00 0.00 0.00 23.12 21.44 1f11 s ALA 125 CO -0.06 0.60 1.63 -1.35 0.00 0.00 0.00 175.76 176.57 1f11 h PRO 126 N 2.76 -0.52 -1.09 0.00 0.11 -1.90 -3.49 132.00 127.87 1f11 h PRO 126 Ca -0.47 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1f11 h PRO 126 Cb 1.19 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1f11 h PRO 126 CO 0.64 -0.35 0.00 0.41 -0.21 0.00 0.00 178.00 178.49 1f11 n GLY 127 N -1.40 0.27 3.24 -0.55 0.00 -1.26 -4.80 105.19 100.68 1f11 n GLY 127 Ca -0.07 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 1f11 n GLY 127 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f11 n SER 128 N -0.24 -6.64 0.00 1.61 7.64 -1.26 -5.02 113.62 109.72 1f11 n SER 128 Ca 0.00 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1f11 n SER 128 Cb 0.06 -3.50 0.00 0.00 -1.01 0.00 0.00 64.21 59.75 1f11 n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f11 n ALA 129 N -0.65 0.00 -1.17 -0.43 0.00 -1.26 -5.13 120.51 111.87 1f11 n ALA 129 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 1f11 n ALA 129 Cb 0.58 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.15 1f11 n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f11 s ALA 130 N -2.00 1.90 -0.36 0.00 0.00 -1.26 -4.99 121.76 115.05 1f11 s ALA 130 Ca 0.00 0.85 0.04 0.00 0.00 0.00 0.00 51.96 52.85 1f11 s ALA 130 Cb 0.00 -3.49 0.31 0.00 0.00 0.00 0.00 23.12 19.95 1f11 s ALA 130 CO 0.00 -2.20 1.31 0.94 0.00 0.00 0.00 175.76 175.81 1f11 n GLN 133 N -3.18 0.33 -3.02 0.00 7.27 -1.26 -5.02 117.38 112.50 1f11 n GLN 133 Ca 0.13 -0.97 -0.04 0.00 0.07 0.00 0.00 57.00 56.19 1f11 n GLN 133 Cb 0.50 -0.38 -0.01 0.00 2.41 0.00 0.00 30.24 32.77 1f11 n GLN 133 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1f11 s THR 134 N 0.12 -0.87 -1.20 1.69 -4.23 -1.26 -4.94 115.64 104.95 1f11 s THR 134 Ca 0.22 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1f11 s THR 134 Cb 0.28 -0.12 0.00 0.00 1.34 0.00 0.00 72.50 74.00 1f11 s THR 134 CO -0.16 -0.11 0.00 -3.20 -0.54 0.00 0.00 174.62 170.61 1f11 n ASN 135 N 3.61 -5.18 -4.15 3.99 2.85 -1.26 -4.94 115.26 110.17 1f11 n ASN 135 Ca 0.15 0.28 -0.33 0.00 -0.11 0.00 0.00 54.58 54.57 1f11 n ASN 135 Cb 0.55 -3.96 -0.16 0.00 1.24 0.00 0.00 39.78 37.46 1f11 n ASN 135 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1f11 s SER 136 N -2.29 3.35 0.28 1.20 0.01 -1.26 -4.84 113.70 110.16 1f11 s SER 136 Ca 0.00 -0.61 -0.11 0.00 1.31 0.00 0.00 55.95 56.54 1f11 s SER 136 Cb 0.00 -1.53 -0.09 0.00 0.21 0.00 0.00 66.02 64.61 1f11 s SER 136 CO 0.00 -0.01 -0.03 0.23 0.41 0.00 0.00 173.24 173.84 1f11 n MET 137 N 4.65 0.00 -3.95 12.44 2.81 -1.26 -3.66 117.12 128.14 1f11 n MET 137 Ca -0.20 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.50 1f11 n MET 137 Cb 0.50 -0.59 -0.16 0.00 -0.71 0.00 0.00 33.22 32.26 1f11 n MET 137 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1f11 s VAL 138 N -1.11 0.25 -0.16 2.03 1.01 0.21 -4.76 120.40 117.87 1f11 s VAL 138 Ca 0.34 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 1f11 s VAL 138 Cb -0.32 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1f11 s VAL 138 CO 0.38 0.17 0.19 -0.89 0.00 0.00 0.00 175.10 174.95 1f11 s THR 139 N 1.12 5.38 0.17 3.92 2.01 -1.26 -0.38 115.64 126.61 1f11 s THR 139 Ca -0.08 0.33 0.11 0.00 0.31 0.00 0.00 61.69 62.35 1f11 s THR 139 Cb -0.14 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1f11 s THR 139 CO -0.02 0.48 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.40 1f11 s LEU 140 N -0.06 2.41 0.15 4.42 1.43 -0.23 -4.58 118.68 122.22 1f11 s LEU 140 Ca 0.13 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 1f11 s LEU 140 Cb -0.12 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1f11 s LEU 140 CO 0.02 0.10 0.01 -0.83 0.23 0.00 0.00 176.35 175.88 1f11 s GLY 141 N -2.54 1.10 -0.05 -3.19 0.00 -0.64 -0.34 107.32 101.65 1f11 s GLY 141 Ca 0.18 -1.53 -0.01 0.00 0.00 0.00 0.00 44.72 43.36 1f11 s GLY 141 CO 0.08 -1.47 0.02 0.00 0.00 0.00 0.00 173.10 171.73 1f11 s LEU 143 N 1.88 3.94 -0.38 0.00 2.96 0.49 -1.35 118.68 126.21 1f11 s LEU 143 Ca 0.02 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1f11 s LEU 143 Cb -0.12 -2.08 0.08 0.00 0.50 0.00 0.00 46.19 44.57 1f11 s LEU 143 CO -0.04 -0.03 0.17 -0.69 -1.32 0.00 0.00 176.35 174.44 1f11 s VAL 144 N 1.61 3.50 0.12 1.68 1.01 -0.49 -0.75 120.40 127.08 1f11 s VAL 144 Ca 0.07 -1.68 0.07 0.00 0.00 0.00 0.00 61.98 60.44 1f11 s VAL 144 Cb -0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1f11 s VAL 144 CO 0.09 -0.48 -0.17 -1.59 0.00 0.00 0.00 175.10 172.95 1f11 s LYS 145 N 1.26 1.09 -0.64 2.72 -2.85 -0.71 -1.25 119.74 119.35 1f11 s LYS 145 Ca 0.03 -1.24 -0.00 0.00 -1.00 0.00 0.00 55.97 53.77 1f11 s LYS 145 Cb -0.22 -1.11 -0.00 0.00 -2.06 0.00 0.00 37.83 34.44 1f11 s LYS 145 CO -0.01 0.23 0.54 0.41 0.10 0.00 0.00 175.35 176.61 1f11 n GLY 146 N 0.67 0.01 3.59 0.59 0.00 0.53 -0.98 105.19 109.60 1f11 n GLY 146 Ca -0.16 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 1f11 n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f11 s TYR 147 N -3.19 2.48 -0.29 1.61 1.13 -0.29 -4.46 117.35 114.34 1f11 s TYR 147 Ca 0.00 -0.58 -0.23 0.00 -1.41 0.00 0.00 57.07 54.85 1f11 s TYR 147 Cb -0.00 -1.60 0.14 0.00 -1.10 0.00 0.00 41.96 39.40 1f11 s TYR 147 CO 0.39 0.50 1.08 0.12 -2.51 0.00 0.00 175.55 175.13 1f11 s PHE 148 N -2.65 -0.43 0.00 -3.49 2.19 -0.34 0.44 117.98 113.70 1f11 s PHE 148 Ca 0.34 1.00 0.00 0.00 0.33 0.00 0.00 56.93 58.61 1f11 s PHE 148 Cb 0.06 0.37 0.00 0.00 -1.31 0.00 0.00 43.02 42.14 1f11 s PHE 148 CO 0.18 -0.21 0.00 -0.35 1.83 0.00 0.00 175.22 176.67 1f11 n PRO 149 N 2.40 1.56 -1.63 10.12 -0.04 -1.26 -0.76 135.00 145.39 1f11 n PRO 149 Ca -0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 1f11 n PRO 149 Cb 0.56 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.07 1f11 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1f11 s GLU 150 N -0.49 2.90 0.19 0.54 0.41 -1.26 -4.78 118.70 116.21 1f11 s GLU 150 Ca 0.00 1.07 0.02 0.00 -0.41 0.00 0.00 54.97 55.65 1f11 s GLU 150 Cb 0.00 -1.98 0.02 0.00 -1.78 0.00 0.00 34.13 30.39 1f11 s GLU 150 CO 0.00 -1.13 0.16 -0.35 -0.49 0.00 0.00 175.26 173.45 1f11 n PRO 151 N -2.92 1.16 -3.88 0.39 -0.04 -1.26 -4.89 135.00 123.56 1f11 n PRO 151 Ca 0.08 -1.16 -0.12 0.00 -0.04 0.00 0.00 63.50 62.26 1f11 n PRO 151 Cb 0.53 0.09 -0.13 0.00 -0.04 0.00 0.00 33.50 33.95 1f11 n PRO 151 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1f11 s VAL 152 N -0.82 0.01 -0.28 0.52 -7.23 -1.26 -4.30 120.40 107.04 1f11 s VAL 152 Ca 0.12 -0.12 -0.05 0.00 -1.81 0.00 0.00 61.98 60.12 1f11 s VAL 152 Cb -0.01 -0.07 0.02 0.00 0.56 0.00 0.00 36.38 36.88 1f11 s VAL 152 CO 0.08 -0.07 0.04 -0.89 -0.31 0.00 0.00 175.10 173.95 1f11 s THR 153 N -0.19 3.63 -0.12 5.32 2.01 0.44 -4.94 115.64 121.78 1f11 s THR 153 Ca -0.02 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 1f11 s THR 153 Cb -0.01 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 1f11 s THR 153 CO -0.00 0.09 0.12 -0.69 -0.69 0.00 0.00 174.62 173.45 1f11 s VAL 154 N 1.44 5.34 0.02 3.82 1.01 -1.26 -1.06 120.40 129.71 1f11 s VAL 154 Ca 0.01 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 1f11 s VAL 154 Cb -0.17 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1f11 s VAL 154 CO 0.00 0.61 0.04 -0.89 0.00 0.00 0.00 175.10 174.86 1f11 s THR 156 N -0.91 0.11 -0.27 3.92 2.01 -0.23 -4.96 115.64 115.31 1f11 s THR 156 Ca 0.14 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 1f11 s THR 156 Cb -0.12 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 71.98 1f11 s THR 156 CO 0.03 -0.49 0.01 0.26 -0.69 0.00 0.00 174.62 173.75 1f11 s TRP 157 N -1.64 3.11 -1.08 4.92 0.52 -1.26 0.63 118.94 124.13 1f11 s TRP 157 Ca -0.14 -1.24 -0.01 0.00 0.02 0.00 0.00 56.10 54.74 1f11 s TRP 157 Cb -0.08 -2.16 -0.01 0.00 -1.15 0.00 0.00 33.47 30.07 1f11 s TRP 157 CO -0.01 -0.64 0.91 0.09 0.02 0.00 0.00 176.95 177.32 1f11 n ASN 162 N 4.77 -2.74 0.00 2.95 3.02 -0.23 -1.78 115.26 121.25 1f11 n ASN 162 Ca -0.16 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1f11 n ASN 162 Cb 0.48 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.86 1f11 n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1f11 n SER 163 N -2.99 0.00 0.00 6.41 7.64 -1.26 -1.68 113.62 121.74 1f11 n SER 163 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1f11 n SER 163 Cb 0.65 -2.28 0.00 0.00 -1.01 0.00 0.00 64.21 61.57 1f11 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f11 n GLY 164 N -1.91 1.59 0.35 0.23 0.00 -0.73 -4.98 105.19 99.74 1f11 n GLY 164 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1f11 n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f11 h SER 165 N 0.00 0.36 -3.58 1.61 0.02 -1.35 -3.35 113.55 107.26 1f11 h SER 165 Ca 0.00 0.01 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 1f11 h SER 165 Cb 0.00 -0.07 -0.21 0.00 0.14 0.00 0.00 62.40 62.26 1f11 h SER 165 CO 0.00 0.22 -0.46 -0.76 -1.14 0.00 0.00 176.83 174.68 1f11 s LEU 166 N -9.33 4.84 -0.01 5.07 1.43 -1.14 -4.84 118.68 114.70 1f11 s LEU 166 Ca -0.08 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1f11 s LEU 166 Cb 0.20 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1f11 s LEU 166 CO 0.75 -0.37 0.00 -1.20 0.23 0.00 0.00 176.35 175.76 1f11 n SER 167 N 5.11 4.74 -4.75 2.29 7.64 -1.26 -4.36 113.62 123.03 1f11 n SER 167 Ca -0.12 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.37 1f11 n SER 167 Cb 0.48 0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 64.18 1f11 n SER 167 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1f11 s SER 168 N -3.07 6.99 0.00 6.43 0.01 -1.26 -3.65 113.70 119.15 1f11 s SER 168 Ca -0.01 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1f11 s SER 168 Cb 0.00 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1f11 s SER 168 CO 0.04 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1f11 n GLY 169 N 2.59 2.10 3.78 3.44 0.00 -1.26 -4.71 105.19 111.13 1f11 n GLY 169 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1f11 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f11 s VAL 171 N -2.55 3.31 -0.31 1.61 1.01 -1.24 -2.71 120.40 119.52 1f11 s VAL 171 Ca 0.00 0.90 0.01 0.00 0.00 0.00 0.00 61.98 62.89 1f11 s VAL 171 Cb 0.00 -3.41 0.15 0.00 0.00 0.00 0.00 36.38 33.11 1f11 s VAL 171 CO 0.00 -0.10 0.34 -1.00 0.00 0.00 0.00 175.10 174.35 1f11 s HIS 172 N -1.71 -0.56 -0.40 5.22 3.76 -0.08 -4.97 115.29 116.55 1f11 s HIS 172 Ca 0.67 -0.20 -0.16 0.00 -0.15 0.00 0.00 55.06 55.22 1f11 s HIS 172 Cb -0.24 -0.38 0.01 0.00 1.11 0.00 0.00 32.58 33.08 1f11 s HIS 172 CO 0.29 -0.95 0.37 0.99 -0.85 0.00 0.00 174.74 174.59 1f11 s THR 173 N 2.20 5.16 0.45 1.30 2.01 -1.26 -1.30 115.64 124.20 1f11 s THR 173 Ca 0.11 -0.34 -0.20 0.00 0.31 0.00 0.00 61.69 61.58 1f11 s THR 173 Cb -0.14 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.33 1f11 s THR 173 CO -0.26 -0.30 0.96 -0.36 -0.69 0.00 0.00 174.62 173.97 1f11 s PHE 174 N 1.97 3.34 0.51 4.92 0.40 -0.51 -5.00 117.98 123.60 1f11 s PHE 174 Ca 0.10 1.57 -0.22 0.00 -0.60 0.00 0.00 56.93 57.77 1f11 s PHE 174 Cb -0.17 -2.84 -0.06 0.00 0.51 0.00 0.00 43.02 40.45 1f11 s PHE 174 CO 0.12 -0.20 1.31 -2.14 0.70 0.00 0.00 175.22 175.01 1f11 s PRO 175 N -3.42 3.38 0.36 0.24 0.02 -1.26 -4.29 135.00 130.03 1f11 s PRO 175 Ca 0.61 2.13 -0.27 0.00 0.02 0.00 0.00 61.00 63.50 1f11 s PRO 175 Cb -0.09 -2.35 -0.09 0.00 0.02 0.00 0.00 34.50 31.98 1f11 s PRO 175 CO 0.18 -0.97 1.17 0.00 -0.33 0.00 0.00 177.00 177.05 1f11 s ALA 176 N -1.35 3.26 0.29 -1.55 0.00 -1.26 -4.76 121.76 116.38 1f11 s ALA 176 Ca 0.68 0.98 0.10 0.00 0.00 0.00 0.00 51.96 53.72 1f11 s ALA 176 Cb -0.38 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 1f11 s ALA 176 CO 0.45 -0.44 -0.01 0.14 0.00 0.00 0.00 175.76 175.89 1f11 s VAL 177 N -1.33 3.12 -0.51 0.00 -7.23 0.13 -4.90 120.40 109.67 1f11 s VAL 177 Ca 0.53 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.64 1f11 s VAL 177 Cb -0.32 -2.77 0.13 0.00 0.56 0.00 0.00 36.38 33.98 1f11 s VAL 177 CO 0.41 -0.33 0.38 -0.22 -0.31 0.00 0.00 175.10 175.03 1f11 s LEU 178 N -3.68 5.72 -0.16 1.32 2.96 -1.26 -1.43 118.68 122.15 1f11 s LEU 178 Ca 0.32 -2.06 -0.16 0.00 -0.22 0.00 0.00 54.13 52.02 1f11 s LEU 178 Cb -0.05 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1f11 s LEU 178 CO 0.19 -0.65 0.37 0.00 -1.32 0.00 0.00 176.35 174.94 1f11 s GLN 179 N 1.14 4.25 7.88 1.98 -2.07 -0.14 -4.85 119.66 127.85 1f11 s GLN 179 Ca 0.08 0.21 0.00 0.00 -1.82 0.00 0.00 55.36 53.83 1f11 s GLN 179 Cb -0.25 -3.47 0.00 0.00 -1.09 0.00 0.00 33.01 28.21 1f11 s GLN 179 CO -0.02 0.13 0.00 0.43 -1.32 0.00 0.00 175.29 174.51 1f11 n SER 180 N 3.90 0.00 -1.32 12.60 7.64 -1.26 -0.48 113.62 134.70 1f11 n SER 180 Ca -0.10 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.73 1f11 n SER 180 Cb 0.52 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.83 1f11 n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1f11 n ASP 183 N 6.88 2.79 -4.34 6.43 8.00 -1.26 -5.01 116.55 130.04 1f11 n ASP 183 Ca 0.00 -3.57 -0.18 0.00 0.71 0.00 0.00 54.79 51.75 1f11 n ASP 183 Cb 0.00 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.56 1f11 n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1f11 s LEU 184 N -3.13 2.39 0.15 0.64 1.43 0.37 -4.94 118.68 115.60 1f11 s LEU 184 Ca 0.42 -1.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1f11 s LEU 184 Cb 0.38 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 46.13 1f11 s LEU 184 CO -0.04 -0.38 0.18 -0.31 0.23 0.00 0.00 176.35 176.03 1f11 s TYR 185 N -3.23 3.26 -0.19 0.29 2.02 0.17 -0.97 117.35 118.71 1f11 s TYR 185 Ca 0.25 0.03 -0.10 0.00 -0.37 0.00 0.00 57.07 56.88 1f11 s TYR 185 Cb 0.03 -1.57 0.06 0.00 -0.40 0.00 0.00 41.96 40.09 1f11 s TYR 185 CO 0.07 0.52 0.45 0.99 -1.57 0.00 0.00 175.55 176.01 1f11 s THR 186 N -1.72 -0.02 0.22 -0.71 2.01 -0.51 -0.34 115.64 114.56 1f11 s THR 186 Ca 0.32 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.37 1f11 s THR 186 Cb -0.11 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1f11 s THR 186 CO 0.25 0.03 0.20 -1.48 -0.69 0.00 0.00 174.62 172.93 1f11 s LEU 187 N 1.42 1.04 0.00 4.42 0.05 -0.38 -0.69 118.68 124.54 1f11 s LEU 187 Ca -0.09 -1.33 -0.15 0.00 0.05 0.00 0.00 54.13 52.60 1f11 s LEU 187 Cb -0.08 0.64 0.02 0.00 -2.05 0.00 0.00 46.19 44.73 1f11 s LEU 187 CO -0.14 -0.91 0.31 -0.94 -0.55 0.00 0.00 176.35 174.12 1f11 s SER 188 N -3.15 -0.17 0.09 1.48 1.04 -1.26 -1.40 113.70 110.33 1f11 s SER 188 Ca 0.36 0.00 0.05 0.00 0.48 0.00 0.00 55.95 56.85 1f11 s SER 188 Cb 0.05 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1f11 s SER 188 CO 0.13 -0.50 -0.13 -0.55 0.98 0.00 0.00 173.24 173.16 1f11 s SER 189 N -1.56 1.69 0.13 7.02 0.15 -0.46 -1.42 113.70 119.25 1f11 s SER 189 Ca -0.11 -0.69 0.05 0.00 0.70 0.00 0.00 55.95 55.89 1f11 s SER 189 Cb -0.04 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 1f11 s SER 189 CO 0.02 -0.13 -0.11 -0.94 1.20 0.00 0.00 173.24 173.28 1f11 s SER 190 N -2.03 1.80 -0.08 5.45 1.04 -0.42 -0.25 113.70 119.21 1f11 s SER 190 Ca 0.02 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.49 1f11 s SER 190 Cb -0.08 -0.03 0.04 0.00 0.10 0.00 0.00 66.02 66.06 1f11 s SER 190 CO 0.02 -0.26 0.19 0.54 0.98 0.00 0.00 173.24 174.70 1f11 s VAL 191 N -2.82 -0.04 -0.25 5.02 0.11 0.53 -0.91 120.40 122.04 1f11 s VAL 191 Ca 0.12 0.16 -0.12 0.00 -2.93 0.00 0.00 61.98 59.21 1f11 s VAL 191 Cb -0.01 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.50 1f11 s VAL 191 CO 0.01 0.06 0.23 -0.89 -3.33 0.00 0.00 175.10 171.19 1f11 s THR 192 N 1.15 5.30 0.10 5.04 2.01 -1.10 -1.06 115.64 127.08 1f11 s THR 192 Ca -0.09 0.30 0.05 0.00 0.31 0.00 0.00 61.69 62.26 1f11 s THR 192 Cb -0.11 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1f11 s THR 192 CO -0.07 0.28 -0.13 0.68 -0.69 0.00 0.00 174.62 174.69 1f11 s VAL 193 N 1.45 1.20 0.57 3.82 -7.23 0.49 -4.67 120.40 116.03 1f11 s VAL 193 Ca 0.10 -1.60 -0.21 0.00 -1.81 0.00 0.00 61.98 58.46 1f11 s VAL 193 Cb -0.15 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1f11 s VAL 193 CO 0.08 -0.39 1.30 -2.84 -0.31 0.00 0.00 175.10 172.94 1f11 s PRO 194 N -2.46 3.03 0.52 4.82 0.02 -1.26 0.67 135.00 140.33 1f11 s PRO 194 Ca 0.06 2.09 0.28 0.00 0.02 0.00 0.00 61.00 63.45 1f11 s PRO 194 Cb -0.06 -2.12 1.41 0.00 0.02 0.00 0.00 34.50 33.75 1f11 s PRO 194 CO 0.02 -1.23 1.90 0.77 -0.33 0.00 0.00 177.00 178.13 1f11 h SER 195 N 1.21 0.06 0.70 2.53 0.02 -1.83 -1.80 113.55 114.44 1f11 h SER 195 Ca -0.51 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 1f11 h SER 195 Cb 1.30 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1f11 h SER 195 CO 0.56 0.02 -0.39 0.28 -1.14 0.00 0.00 176.83 176.16 1f11 h SER 196 N 0.06 -0.96 0.00 3.07 0.02 -1.91 -3.34 113.55 110.49 1f11 h SER 196 Ca 0.40 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1f11 h SER 196 Cb 1.51 0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.31 1f11 h SER 196 CO -0.03 -0.62 0.00 -2.65 -1.14 0.00 0.00 176.83 172.39 1f11 n PRO 199 N -4.88 0.00 -3.56 3.45 -0.02 -0.68 -4.03 135.00 125.29 1f11 n PRO 199 Ca -0.12 0.29 -0.32 0.00 -2.02 0.00 0.00 63.50 61.32 1f11 n PRO 199 Cb 0.41 -0.70 -0.05 0.00 -0.02 0.00 0.00 33.50 33.14 1f11 n PRO 199 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1f11 s ARG 200 N -0.69 3.70 0.00 -0.52 3.52 -1.24 0.15 118.95 123.87 1f11 s ARG 200 Ca 0.00 0.07 0.17 0.00 -0.13 0.00 0.00 55.73 55.84 1f11 s ARG 200 Cb 0.00 -2.76 1.01 0.00 -1.56 0.00 0.00 34.95 31.65 1f11 s ARG 200 CO 0.00 0.40 1.65 -0.35 -0.81 0.00 0.00 175.30 176.19 1f11 n PRO 202 N -0.01 1.00 0.00 5.12 -0.05 -1.26 -4.66 135.00 135.14 1f11 n PRO 202 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.44 1f11 n PRO 202 Cb 0.52 -1.27 0.00 0.00 -0.05 0.00 0.00 33.50 32.70 1f11 n PRO 202 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1f11 n SER 203 N -0.77 0.00 -4.77 3.54 7.64 -0.32 -4.71 113.62 114.24 1f11 n SER 203 Ca 0.13 0.49 -0.39 0.00 1.01 0.00 0.00 58.87 60.10 1f11 n SER 203 Cb 0.06 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1f11 n SER 203 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1f11 s GLU 204 N -0.97 4.27 0.36 1.43 2.02 0.40 -4.98 118.70 121.23 1f11 s GLU 204 Ca 0.00 1.92 -0.28 0.00 0.02 0.00 0.00 54.97 56.63 1f11 s GLU 204 Cb 0.00 -2.89 -0.10 0.00 0.10 0.00 0.00 34.13 31.23 1f11 s GLU 204 CO 0.00 -0.16 1.37 0.99 0.02 0.00 0.00 175.26 177.48 1f11 s THR 205 N -1.29 2.47 -0.17 3.63 2.01 -1.26 -4.12 115.64 116.91 1f11 s THR 205 Ca 0.52 0.47 -0.01 0.00 0.31 0.00 0.00 61.69 62.98 1f11 s THR 205 Cb -0.33 -3.30 0.04 0.00 0.01 0.00 0.00 72.50 68.93 1f11 s THR 205 CO 0.43 0.11 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 1f11 s VAL 206 N -1.15 1.00 0.30 3.82 1.01 -1.26 -5.01 120.40 119.10 1f11 s VAL 206 Ca 0.51 -0.59 0.11 0.00 0.00 0.00 0.00 61.98 62.00 1f11 s VAL 206 Cb -0.42 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1f11 s VAL 206 CO 0.56 0.08 -0.12 -0.89 0.00 0.00 0.00 175.10 174.73 1f11 s THR 207 N 1.68 2.60 -0.07 3.92 2.01 -1.26 -1.06 115.64 123.46 1f11 s THR 207 Ca 0.00 -2.24 0.03 0.00 0.31 0.00 0.00 61.69 59.79 1f11 s THR 207 Cb -0.15 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.85 1f11 s THR 207 CO -0.07 -0.33 -0.15 0.00 -0.69 0.00 0.00 174.62 173.37 1f11 s ASN 209 N 0.52 4.60 -0.10 0.00 -0.87 0.20 -1.36 114.94 117.94 1f11 s ASN 209 Ca -0.14 -1.44 -0.09 0.00 -1.57 0.00 0.00 52.86 49.61 1f11 s ASN 209 Cb -0.16 -1.60 -0.04 0.00 -0.02 0.00 0.00 41.25 39.43 1f11 s ASN 209 CO 0.05 -0.23 0.21 -0.69 -2.57 0.00 0.00 177.10 173.87 1f11 s VAL 210 N 1.12 5.38 -0.04 1.60 1.01 0.42 -1.07 120.40 128.82 1f11 s VAL 210 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1f11 s VAL 210 Cb -0.20 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1f11 s VAL 210 CO -0.04 0.59 -0.02 0.00 0.00 0.00 0.00 175.10 175.63 1f11 s ALA 211 N -0.89 0.53 -0.55 5.51 0.00 -0.22 -0.29 121.76 125.86 1f11 s ALA 211 Ca 0.17 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.19 1f11 s ALA 211 Cb -0.13 -0.46 0.14 0.00 0.00 0.00 0.00 23.12 22.67 1f11 s ALA 211 CO 0.06 -0.14 0.30 -1.58 0.00 0.00 0.00 175.76 174.40 1f11 s HIS 212 N 1.20 3.18 0.14 0.00 2.46 0.07 -0.42 115.29 121.92 1f11 s HIS 212 Ca -0.07 -3.17 -0.27 0.00 0.47 0.00 0.00 55.06 52.03 1f11 s HIS 212 Cb -0.14 -2.75 -0.06 0.00 -0.13 0.00 0.00 32.58 29.51 1f11 s HIS 212 CO -0.02 -0.71 1.44 -2.30 -2.47 0.00 0.00 174.74 170.68 1f11 n PRO 213 N 2.94 -0.38 -0.64 2.88 -0.02 -1.26 -1.46 135.00 137.06 1f11 n PRO 213 Ca 0.08 1.42 0.48 0.00 -2.02 0.00 0.00 63.50 63.46 1f11 n PRO 213 Cb 0.33 -2.09 0.74 0.00 -0.02 0.00 0.00 33.50 32.46 1f11 n PRO 213 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f11 n ALA 214 N -3.23 1.71 -1.11 3.55 0.00 -1.26 -0.23 120.51 119.94 1f11 n ALA 214 Ca 0.02 0.61 0.06 0.00 0.00 0.00 0.00 53.44 54.13 1f11 n ALA 214 Cb 0.22 -1.04 0.09 0.00 0.00 0.00 0.00 19.45 18.73 1f11 n ALA 214 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1f11 n SER 215 N -3.80 1.76 -4.17 0.00 3.41 -0.53 -4.99 113.62 105.30 1f11 n SER 215 Ca 0.40 -2.66 -0.35 0.00 -0.26 0.00 0.00 58.87 56.00 1f11 n SER 215 Cb 1.82 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 65.44 1f11 n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1f11 n SER 216 N -0.99 -3.51 -4.56 4.04 7.64 0.69 -4.90 113.62 112.03 1f11 n SER 216 Ca 0.10 -0.97 -0.40 0.00 1.01 0.00 0.00 58.87 58.61 1f11 n SER 216 Cb 0.60 -2.96 -0.09 0.00 -1.01 0.00 0.00 64.21 60.74 1f11 n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1f11 s THR 217 N -3.31 5.16 -0.17 0.44 2.01 -1.08 -4.98 115.64 113.72 1f11 s THR 217 Ca 0.71 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.95 1f11 s THR 217 Cb -0.38 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.37 1f11 s THR 217 CO 0.91 -0.02 -0.13 -0.75 -0.69 0.00 0.00 174.62 173.95 1f11 s LYS 218 N 2.06 2.22 0.03 4.92 2.36 -1.26 -0.75 119.74 129.31 1f11 s LYS 218 Ca 0.13 -0.67 0.07 0.00 -2.55 0.00 0.00 55.97 52.95 1f11 s LYS 218 Cb -0.16 -2.24 -0.02 0.00 -1.05 0.00 0.00 37.83 34.36 1f11 s LYS 218 CO 0.11 -0.31 -0.21 0.08 1.55 0.00 0.00 175.35 176.57 1f11 s VAL 219 N 1.45 1.72 -0.38 4.02 1.01 0.60 -5.00 120.40 123.81 1f11 s VAL 219 Ca 0.03 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1f11 s VAL 219 Cb -0.14 -1.48 0.12 0.00 0.00 0.00 0.00 36.38 34.88 1f11 s VAL 219 CO -0.10 0.29 0.17 -1.81 0.00 0.00 0.00 175.10 173.65 1f11 s ASP 220 N -1.01 3.90 -0.21 3.32 1.01 -1.26 -0.44 116.67 121.98 1f11 s ASP 220 Ca 0.08 -2.23 -0.15 0.00 0.71 0.00 0.00 52.55 50.96 1f11 s ASP 220 Cb -0.09 -1.03 -0.04 0.00 1.01 0.00 0.00 42.92 42.77 1f11 s ASP 220 CO 0.01 -0.33 0.37 -0.54 0.21 0.00 0.00 175.17 174.89 1f11 s LYS 221 N 0.86 4.16 0.07 8.23 -0.14 -0.46 -4.91 119.74 127.55 1f11 s LYS 221 Ca 0.14 0.14 -0.23 0.00 -1.36 0.00 0.00 55.97 54.66 1f11 s LYS 221 Cb -0.21 -3.54 -0.06 0.00 -1.68 0.00 0.00 37.83 32.33 1f11 s LYS 221 CO -0.10 -0.03 0.69 0.21 -0.76 0.00 0.00 175.35 175.36 1f11 s LYS 222 N 1.31 4.41 -0.51 1.68 2.20 -1.26 -1.57 119.74 126.00 1f11 s LYS 222 Ca 0.17 0.95 -0.21 0.00 -0.36 0.00 0.00 55.97 56.52 1f11 s LYS 222 Cb -0.15 -3.30 0.05 0.00 -1.51 0.00 0.00 37.83 32.92 1f11 s LYS 222 CO 0.08 0.46 0.72 0.42 -0.36 0.00 0.00 175.35 176.67 1f11 s ILE 223 N -0.63 4.72 0.28 5.43 -1.09 -0.22 -4.92 121.20 124.77 1f11 s ILE 223 Ca 0.34 -0.14 0.10 0.00 -2.23 0.00 0.00 60.65 58.71 1f11 s ILE 223 Cb -0.21 -4.35 -0.05 0.00 -1.58 0.00 0.00 42.46 36.28 1f11 s ILE 223 CO 0.22 -0.86 -0.02 0.68 -1.23 0.00 0.00 174.94 173.73 1f11 s VAL 226 N 3.06 3.18 -2.21 2.92 -7.23 -1.26 -4.64 120.40 114.22 1f11 s VAL 226 Ca 0.21 -1.98 0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1f11 s VAL 226 Cb -0.16 -2.77 0.76 0.00 0.56 0.00 0.00 36.38 34.77 1f11 s VAL 226 CO 0.15 -0.34 2.03 -0.81 -0.31 0.00 0.00 175.10 175.82