#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4x s VAL 2 N 0.00 3.60 -0.02 6.31 1.01 -1.26 -4.28 120.40 125.77 1f4x s VAL 2 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1f4x s VAL 2 Cb 0.00 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1f4x s VAL 2 CO 0.00 0.07 0.02 -1.10 0.00 0.00 0.00 175.10 174.09 1f4x s GLN 3 N 1.37 0.04 -0.12 2.72 1.11 0.22 -5.00 119.66 119.99 1f4x s GLN 3 Ca 0.63 0.14 0.02 0.00 0.01 0.00 0.00 55.36 56.16 1f4x s GLN 3 Cb -0.33 -0.27 0.01 0.00 -1.01 0.00 0.00 33.01 31.41 1f4x s GLN 3 CO 0.29 -0.14 -0.20 -0.51 0.01 0.00 0.00 175.29 174.75 1f4x s LEU 4 N 0.91 1.97 -0.16 2.90 1.43 -1.26 -0.46 118.68 124.01 1f4x s LEU 4 Ca -0.08 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1f4x s LEU 4 Cb -0.11 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 44.84 1f4x s LEU 4 CO -0.02 0.07 -0.03 -1.61 0.23 0.00 0.00 176.35 174.99 1f4x s GLU 5 N 0.80 1.17 0.36 1.70 0.41 0.30 -3.65 118.70 119.79 1f4x s GLU 5 Ca -0.09 -0.43 -0.04 0.00 -0.41 0.00 0.00 54.97 54.00 1f4x s GLU 5 Cb -0.16 -1.92 -0.04 0.00 -1.78 0.00 0.00 34.13 30.23 1f4x s GLU 5 CO -0.00 -0.47 0.62 -1.21 -0.49 0.00 0.00 175.26 173.71 1f4x s GLU 6 N 1.71 3.59 0.29 1.61 8.01 -1.26 -0.33 118.70 132.32 1f4x s GLU 6 Ca 0.01 0.00 -0.19 0.00 0.01 0.00 0.00 54.97 54.80 1f4x s GLU 6 Cb -0.15 -2.57 0.07 0.00 -4.31 0.00 0.00 34.13 27.16 1f4x s GLU 6 CO -0.07 0.08 0.91 -1.54 0.01 0.00 0.00 175.26 174.65 1f4x s SER 7 N -3.59 0.00 0.00 -0.19 1.04 -0.03 -4.68 113.70 106.26 1f4x s SER 7 Ca 0.44 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1f4x s SER 7 Cb -0.10 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1f4x s SER 7 CO 0.35 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1f4x n GLY 8 N -0.61 0.26 3.82 7.32 0.00 -1.26 -1.08 105.19 113.64 1f4x n GLY 8 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1f4x n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f4x s GLY 9 N -1.77 1.65 0.00 -0.02 0.00 -1.26 -4.79 107.32 101.13 1f4x s GLY 9 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1f4x s GLY 9 CO 0.00 -0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.53 1f4x n GLY 10 N -2.68 -0.62 3.69 0.20 0.00 -0.44 -4.88 105.19 100.47 1f4x n GLY 10 Ca 0.11 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1f4x n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f4x s LEU 11 N 0.00 3.83 0.27 0.99 2.96 -1.26 -2.08 118.68 123.40 1f4x s LEU 11 Ca 0.00 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1f4x s LEU 11 Cb 0.00 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1f4x s LEU 11 CO 0.00 0.28 0.11 -0.69 -1.32 0.00 0.00 176.35 174.73 1f4x s VAL 12 N -0.28 0.51 0.14 1.68 1.01 -0.75 -4.99 120.40 117.72 1f4x s VAL 12 Ca 0.08 -2.00 0.07 0.00 0.00 0.00 0.00 61.98 60.13 1f4x s VAL 12 Cb -0.12 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1f4x s VAL 12 CO 0.02 0.00 -0.05 0.42 0.00 0.00 0.00 175.10 175.49 1f4x s THR 13 N -3.71 3.57 0.29 3.92 -4.23 -1.26 -1.68 115.64 112.54 1f4x s THR 13 Ca 0.37 -1.34 -0.29 0.00 -1.18 0.00 0.00 61.69 59.25 1f4x s THR 13 Cb 0.07 -2.74 -0.13 0.00 1.34 0.00 0.00 72.50 71.04 1f4x s THR 13 CO 0.14 -0.00 1.15 -2.65 -0.54 0.00 0.00 174.62 172.72 1f4x n PRO 14 N 0.28 1.66 0.00 3.99 -0.02 -1.26 -0.47 135.00 139.18 1f4x n PRO 14 Ca -0.11 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1f4x n PRO 14 Cb 0.54 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1f4x n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f4x n GLY 15 N 1.23 1.90 3.79 -1.23 0.00 0.21 -4.93 105.19 106.17 1f4x n GLY 15 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1f4x n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f4x s GLY 16 N -2.29 1.68 0.11 -0.02 0.00 0.38 -4.14 107.32 103.05 1f4x s GLY 16 Ca 0.00 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 43.76 1f4x s GLY 16 CO 0.00 -0.24 -0.17 -0.56 0.00 0.00 0.00 173.10 172.12 1f4x s SER 17 N -4.43 2.22 -0.17 1.64 0.01 -1.26 -1.19 113.70 110.51 1f4x s SER 17 Ca 0.72 -0.73 -0.30 0.00 1.31 0.00 0.00 55.95 56.95 1f4x s SER 17 Cb -0.07 -0.10 0.13 0.00 0.21 0.00 0.00 66.02 66.19 1f4x s SER 17 CO 0.54 -0.04 1.04 -0.22 0.41 0.00 0.00 173.24 174.98 1f4x s LEU 18 N -2.12 -0.32 -0.17 2.44 2.96 0.78 -5.01 118.68 117.25 1f4x s LEU 18 Ca 0.06 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1f4x s LEU 18 Cb -0.08 1.76 0.01 0.00 0.50 0.00 0.00 46.19 48.37 1f4x s LEU 18 CO 0.04 -0.31 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.99 1f4x s ARG 19 N -1.19 3.13 0.18 1.98 3.52 -1.26 -0.05 118.95 125.26 1f4x s ARG 19 Ca 0.00 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 54.80 1f4x s ARG 19 Cb -0.01 -2.61 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 1f4x s ARG 19 CO -0.00 -0.08 0.38 -0.51 -0.81 0.00 0.00 175.30 174.28 1f4x s LEU 20 N 1.02 4.24 0.08 -0.88 1.43 -0.43 -4.73 118.68 119.40 1f4x s LEU 20 Ca -0.02 0.45 0.09 0.00 -1.03 0.00 0.00 54.13 53.63 1f4x s LEU 20 Cb -0.15 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 1f4x s LEU 20 CO -0.04 -0.01 -0.25 -0.44 0.23 0.00 0.00 176.35 175.84 1f4x s SER 21 N -2.93 3.02 -0.19 2.29 0.01 -0.24 -2.31 113.70 113.35 1f4x s SER 21 Ca 0.39 -0.64 -0.03 0.00 1.31 0.00 0.00 55.95 56.98 1f4x s SER 21 Cb -0.11 -0.23 0.06 0.00 0.21 0.00 0.00 66.02 65.94 1f4x s SER 21 CO 0.28 0.19 0.03 0.00 0.41 0.00 0.00 173.24 174.15 1f4x s ALA 23 N 1.84 3.61 0.12 0.00 0.00 0.56 0.18 121.76 128.07 1f4x s ALA 23 Ca -0.01 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.35 1f4x s ALA 23 Cb -0.17 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1f4x s ALA 23 CO -0.08 -0.05 0.07 0.00 0.00 0.00 0.00 175.76 175.70 1f4x s ALA 24 N 0.78 3.47 0.09 0.00 0.00 0.12 -0.54 121.76 125.69 1f4x s ALA 24 Ca 0.13 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 1f4x s ALA 24 Cb -0.13 -1.31 0.05 0.00 0.00 0.00 0.00 23.12 21.72 1f4x s ALA 24 CO 0.04 0.63 0.48 -1.54 0.00 0.00 0.00 175.76 175.36 1f4x s SER 25 N -2.67 -0.37 0.00 0.00 1.04 0.39 -4.81 113.70 107.28 1f4x s SER 25 Ca 0.29 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1f4x s SER 25 Cb -0.11 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1f4x s SER 25 CO 0.21 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1f4x n GLY 26 N 0.11 0.82 3.81 7.32 0.00 -1.26 -0.61 105.19 115.39 1f4x n GLY 26 Ca -0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 1f4x n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f4x s TYR 27 N -2.00 -0.06 -0.79 1.61 -0.85 -1.26 -4.26 117.35 109.74 1f4x s TYR 27 Ca 0.00 -0.37 -0.22 0.00 -0.52 0.00 0.00 57.07 55.96 1f4x s TYR 27 Cb 0.00 0.71 0.08 0.00 0.38 0.00 0.00 41.96 43.13 1f4x s TYR 27 CO 0.00 -1.08 1.10 0.08 -1.52 0.00 0.00 175.55 174.12 1f4x s VAL 28 N -3.05 4.34 0.32 -3.49 1.01 -1.26 -4.91 120.40 113.37 1f4x s VAL 28 Ca 0.14 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1f4x s VAL 28 Cb -0.03 -4.78 0.30 0.00 0.00 0.00 0.00 36.38 31.87 1f4x s VAL 28 CO 0.06 -1.56 1.88 0.15 0.00 0.00 0.00 175.10 175.62 1f4x h PHE 29 N 9.42 0.95 0.00 5.22 3.57 -1.95 -2.60 116.94 131.55 1f4x h PHE 29 Ca -0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1f4x h PHE 29 Cb 1.05 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1f4x h PHE 29 CO 1.08 0.41 -0.08 0.66 -2.23 0.00 0.00 178.31 178.14 1f4x h SER 30 N 0.85 0.00 0.44 0.41 4.64 -1.91 -3.16 113.55 114.83 1f4x h SER 30 Ca 0.44 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.64 1f4x h SER 30 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1f4x h SER 30 CO -0.20 0.08 -0.50 0.74 -0.87 0.00 0.00 176.83 176.08 1f4x h THR 31 N 0.00 1.36 -3.05 2.95 2.02 -1.89 -3.38 112.91 110.92 1f4x h THR 31 Ca -0.00 -1.74 -0.63 0.00 0.77 0.00 0.00 66.41 64.81 1f4x h THR 31 Cb 0.23 1.90 -0.07 0.00 -1.74 0.00 0.00 68.15 68.47 1f4x h THR 31 CO 0.01 0.50 -0.55 -0.31 0.37 0.00 0.00 175.52 175.54 1f4x s TYR 32 N -3.90 3.35 0.48 3.16 1.51 -1.19 -4.67 117.35 116.08 1f4x s TYR 32 Ca -0.03 0.18 -0.22 0.00 -1.01 0.00 0.00 57.07 55.99 1f4x s TYR 32 Cb 0.13 -1.70 -0.07 0.00 -0.11 0.00 0.00 41.96 40.21 1f4x s TYR 32 CO 0.76 0.56 1.15 -0.51 -1.11 0.00 0.00 175.55 176.40 1f4x s ASP 33 N -2.30 6.07 0.09 2.29 1.01 -1.26 -4.14 116.67 118.42 1f4x s ASP 33 Ca 0.30 2.25 0.02 0.00 0.71 0.00 0.00 52.55 55.83 1f4x s ASP 33 Cb -0.12 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 1f4x s ASP 33 CO 0.23 -0.98 -0.07 -0.04 0.21 0.00 0.00 175.17 174.51 1f4x s MET 34 N -2.87 0.77 0.11 8.23 -1.94 0.05 -1.12 119.30 122.53 1f4x s MET 34 Ca 0.66 -1.20 0.03 0.00 -1.71 0.00 0.00 55.69 53.47 1f4x s MET 34 Cb -0.27 -0.23 -0.04 0.00 2.01 0.00 0.00 34.83 36.30 1f4x s MET 34 CO 0.32 -0.00 -0.09 -1.12 -0.01 0.00 0.00 175.02 174.12 1f4x s SER 35 N -2.71 1.40 0.04 3.03 0.01 -0.40 -0.51 113.70 114.57 1f4x s SER 35 Ca 0.07 -0.94 0.05 0.00 1.31 0.00 0.00 55.95 56.43 1f4x s SER 35 Cb 0.02 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.25 1f4x s SER 35 CO -0.04 -0.37 -0.08 0.26 0.41 0.00 0.00 173.24 173.43 1f4x s TRP 36 N -3.16 2.82 0.01 2.43 0.52 -0.22 -1.35 118.94 119.99 1f4x s TRP 36 Ca 0.11 -0.10 0.01 0.00 0.02 0.00 0.00 56.10 56.14 1f4x s TRP 36 Cb 0.02 -1.54 -0.01 0.00 -1.15 0.00 0.00 33.47 30.79 1f4x s TRP 36 CO -0.02 0.38 -0.03 0.08 0.02 0.00 0.00 176.95 177.39 1f4x s VAL 37 N -1.08 0.19 0.18 4.03 1.01 -0.18 -1.85 120.40 122.69 1f4x s VAL 37 Ca 0.19 -0.54 0.11 0.00 0.00 0.00 0.00 61.98 61.74 1f4x s VAL 37 Cb -0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1f4x s VAL 37 CO 0.10 -0.22 -0.24 0.00 0.00 0.00 0.00 175.10 174.74 1f4x s ARG 38 N -0.80 1.48 -0.20 2.72 1.70 0.13 -1.59 118.95 122.39 1f4x s ARG 38 Ca -0.07 -1.50 -0.03 0.00 -0.47 0.00 0.00 55.73 53.66 1f4x s ARG 38 Cb -0.06 -1.80 -0.01 0.00 -0.57 0.00 0.00 34.95 32.51 1f4x s ARG 38 CO -0.00 0.39 -0.05 -1.14 -1.08 0.00 0.00 175.30 173.42 1f4x s GLN 39 N -2.62 3.44 0.73 3.89 0.74 0.76 -0.47 119.66 126.13 1f4x s GLN 39 Ca 0.20 -0.61 -0.10 0.00 0.05 0.00 0.00 55.36 54.90 1f4x s GLN 39 Cb -0.08 -2.95 0.05 0.00 1.10 0.00 0.00 33.01 31.12 1f4x s GLN 39 CO 0.09 -0.07 1.09 0.95 -0.55 0.00 0.00 175.29 176.80 1f4x s THR 40 N 1.15 2.70 0.44 -0.34 -4.23 -0.42 -1.20 115.64 113.74 1f4x s THR 40 Ca 0.02 0.09 0.20 0.00 -1.18 0.00 0.00 61.69 60.81 1f4x s THR 40 Cb -0.15 -3.20 0.22 0.00 1.34 0.00 0.00 72.50 70.72 1f4x s THR 40 CO -0.01 -0.24 2.02 1.55 -0.54 0.00 0.00 174.62 177.40 1f4x h PRO 41 N -0.73 0.00 0.00 3.99 0.13 -1.90 0.44 132.00 133.92 1f4x h PRO 41 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1f4x h PRO 41 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1f4x h PRO 41 CO 0.64 0.17 0.00 0.39 -0.23 0.00 0.00 178.00 178.96 1f4x n GLU 42 N -4.05 0.63 -1.29 0.86 4.71 -1.26 -4.89 120.64 115.36 1f4x n GLU 42 Ca -0.02 0.02 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1f4x n GLU 42 Cb 0.25 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.16 1f4x n GLU 42 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1f4x n LYS 43 N -1.09 -0.24 -3.30 3.49 5.02 0.16 -5.05 118.16 117.15 1f4x n LYS 43 Ca 0.16 0.53 -0.28 0.00 -2.02 0.00 0.00 58.31 56.70 1f4x n LYS 43 Cb 0.12 -4.18 -0.03 0.00 -0.02 0.00 0.00 35.03 30.91 1f4x n LYS 43 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1f4x s ARG 44 N -2.65 3.63 -0.14 1.97 1.81 -1.26 -4.82 118.95 117.49 1f4x s ARG 44 Ca 0.00 0.01 -0.06 0.00 -1.72 0.00 0.00 55.73 53.96 1f4x s ARG 44 Cb 0.00 -2.63 -0.04 0.00 -0.45 0.00 0.00 34.95 31.83 1f4x s ARG 44 CO 0.00 0.19 0.08 -0.51 -0.68 0.00 0.00 175.30 174.38 1f4x s LEU 45 N -3.65 4.02 -0.04 2.53 1.43 -1.26 -1.30 118.68 120.40 1f4x s LEU 45 Ca 0.44 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.82 1f4x s LEU 45 Cb -0.11 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1f4x s LEU 45 CO 0.31 0.31 -0.11 -1.61 0.23 0.00 0.00 176.35 175.47 1f4x s GLU 46 N -0.43 1.35 0.32 1.70 2.02 0.38 -4.95 118.70 119.09 1f4x s GLU 46 Ca 0.10 -0.38 -0.27 0.00 0.02 0.00 0.00 54.97 54.43 1f4x s GLU 46 Cb -0.12 -1.19 -0.09 0.00 0.10 0.00 0.00 34.13 32.83 1f4x s GLU 46 CO 0.02 0.10 1.06 -0.46 0.02 0.00 0.00 175.26 176.00 1f4x s TRP 47 N 0.37 3.51 0.00 1.61 -0.00 -1.26 0.18 118.94 123.34 1f4x s TRP 47 Ca -0.08 1.70 0.00 0.00 -0.00 0.00 0.00 56.10 57.73 1f4x s TRP 47 Cb -0.12 -3.19 0.00 0.00 -0.00 0.00 0.00 33.47 30.16 1f4x s TRP 47 CO 0.02 -0.47 0.00 0.28 -0.00 0.00 0.00 176.95 176.78 1f4x n VAL 48 N 0.75 0.00 -3.54 5.86 0.31 -0.77 -4.66 118.33 116.27 1f4x n VAL 48 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 1f4x n VAL 48 Cb 0.47 -0.56 -0.04 0.00 -0.91 0.00 0.00 33.84 32.80 1f4x n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f4x s ALA 49 N -1.60 -1.87 -0.01 3.52 0.00 -1.16 -4.30 121.76 116.34 1f4x s ALA 49 Ca 0.00 1.30 -0.02 0.00 0.00 0.00 0.00 51.96 53.24 1f4x s ALA 49 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 1f4x s ALA 49 CO 0.00 -0.50 0.04 0.12 0.00 0.00 0.00 175.76 175.42 1f4x s PHE 50 N -2.08 0.03 -0.05 0.00 5.36 -0.76 -1.05 117.98 119.42 1f4x s PHE 50 Ca 0.01 -0.06 -0.05 0.00 -0.96 0.00 0.00 56.93 55.88 1f4x s PHE 50 Cb -0.01 -0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.65 1f4x s PHE 50 CO -0.03 -0.09 0.13 -1.50 -1.46 0.00 0.00 175.22 172.27 1f4x s ILE 51 N -0.48 -0.00 0.46 3.12 2.07 0.34 -1.73 121.20 124.97 1f4x s ILE 51 Ca -0.05 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.18 1f4x s ILE 51 Cb -0.03 -0.20 -0.02 0.00 0.13 0.00 0.00 42.46 42.34 1f4x s ILE 51 CO -0.00 0.00 0.71 -0.94 -1.91 0.00 0.00 174.94 172.81 1f4x s SER 52 N 0.14 6.03 0.02 4.50 1.04 -0.39 -0.77 113.70 124.27 1f4x s SER 52 Ca -0.01 0.58 -0.37 0.00 0.48 0.00 0.00 55.95 56.63 1f4x s SER 52 Cb -0.02 -1.89 -0.16 0.00 0.10 0.00 0.00 66.02 64.06 1f4x s SER 52 CO -0.00 -0.63 1.45 -0.24 0.98 0.00 0.00 173.24 174.80 1f4x n SER 53 N -2.14 1.95 0.00 7.02 2.88 -1.26 0.22 113.62 122.29 1f4x n SER 53 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1f4x n SER 53 Cb 0.57 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1f4x n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1f4x n GLY 54 N 2.95 3.32 2.55 0.46 0.00 -1.26 -4.41 105.19 108.80 1f4x n GLY 54 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1f4x n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4x n GLY 55 N -2.00 0.40 0.16 -0.02 0.00 0.13 -4.91 105.19 98.96 1f4x n GLY 55 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1f4x n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1f4x h GLY 56 N 0.00 0.00 -4.97 -0.02 0.00 -1.77 -3.44 103.07 92.87 1f4x h GLY 56 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1f4x h GLY 56 CO 0.00 0.00 -0.88 1.09 0.00 0.00 0.00 176.54 176.75 1f4x s ARG 57 N -3.07 2.41 0.10 4.80 1.04 -1.26 -5.03 118.95 117.94 1f4x s ARG 57 Ca 0.04 -0.87 0.03 0.00 -1.04 0.00 0.00 55.73 53.89 1f4x s ARG 57 Cb 0.07 -2.07 -0.04 0.00 -2.04 0.00 0.00 34.95 30.87 1f4x s ARG 57 CO 0.73 0.38 -0.08 0.95 -0.04 0.00 0.00 175.30 177.23 1f4x s THR 58 N -0.18 0.85 -0.03 4.99 -4.23 -1.26 -1.26 115.64 114.52 1f4x s THR 58 Ca -0.03 -1.81 -0.29 0.00 -1.18 0.00 0.00 61.69 58.39 1f4x s THR 58 Cb -0.13 -1.53 0.07 0.00 1.34 0.00 0.00 72.50 72.24 1f4x s THR 58 CO 0.03 -0.72 0.65 -0.94 -0.54 0.00 0.00 174.62 173.10 1f4x s SER 59 N -2.78 -0.62 0.03 3.99 1.04 -0.70 -4.96 113.70 109.70 1f4x s SER 59 Ca 0.09 0.61 -0.06 0.00 0.48 0.00 0.00 55.95 57.07 1f4x s SER 59 Cb 0.01 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1f4x s SER 59 CO -0.02 -0.63 0.10 -0.31 0.98 0.00 0.00 173.24 173.36 1f4x s TYR 60 N -1.45 0.16 0.71 5.02 2.02 -1.26 -1.84 117.35 120.72 1f4x s TYR 60 Ca -0.10 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.07 1f4x s TYR 60 Cb -0.00 -0.12 0.02 0.00 -0.40 0.00 0.00 41.96 41.46 1f4x s TYR 60 CO 0.07 -0.34 1.08 -1.25 -1.57 0.00 0.00 175.55 173.54 1f4x s PRO 61 N -2.26 2.66 0.47 -1.71 0.04 -1.26 -4.85 135.00 128.08 1f4x s PRO 61 Ca -0.08 1.15 0.19 0.00 0.04 0.00 0.00 61.00 62.31 1f4x s PRO 61 Cb -0.03 -1.95 1.15 0.00 0.04 0.00 0.00 34.50 33.71 1f4x s PRO 61 CO -0.03 -1.33 2.00 -0.44 0.04 0.00 0.00 177.00 177.24 1f4x h ASP 62 N -0.65 0.00 0.47 6.66 3.32 -1.97 -2.37 116.42 121.88 1f4x h ASP 62 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1f4x h ASP 62 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1f4x h ASP 62 CO 0.54 0.18 0.00 0.35 -1.72 0.00 0.00 179.24 178.59 1f4x n THR 63 N -4.02 0.96 -0.23 0.35 -2.24 -1.26 -3.05 114.28 104.78 1f4x n THR 63 Ca -0.02 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1f4x n THR 63 Cb 0.26 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1f4x n THR 63 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1f4x n VAL 64 N -2.15 0.00 -1.72 2.28 0.24 -0.94 -4.97 118.33 111.08 1f4x n VAL 64 Ca 0.01 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.34 61.52 1f4x n VAL 64 Cb 0.16 1.23 -0.02 0.00 -1.47 0.00 0.00 33.84 33.74 1f4x n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1f4x n LYS 65 N -0.11 2.46 0.00 7.34 5.02 -0.95 -0.73 118.16 131.19 1f4x n LYS 65 Ca 0.00 0.87 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 1f4x n LYS 65 Cb 0.06 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.47 1f4x n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f4x n GLY 66 N 1.93 2.98 0.15 0.72 0.00 -1.26 -4.77 105.19 104.94 1f4x n GLY 66 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1f4x n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f4x n ARG 67 N -1.46 0.60 -3.77 1.61 1.74 0.09 -5.00 116.66 110.47 1f4x n ARG 67 Ca 0.00 0.19 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 1f4x n ARG 67 Cb 0.00 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 29.93 1f4x n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1f4x s PHE 68 N -2.50 3.48 -0.07 -1.55 0.40 -0.41 -1.86 117.98 115.48 1f4x s PHE 68 Ca -0.36 0.21 -0.03 0.00 -0.60 0.00 0.00 56.93 56.15 1f4x s PHE 68 Cb 0.11 -1.75 0.04 0.00 0.51 0.00 0.00 43.02 41.93 1f4x s PHE 68 CO 0.53 0.39 0.11 0.99 0.70 0.00 0.00 175.22 177.94 1f4x s THR 69 N -1.93 -0.18 0.18 0.64 2.01 0.02 -4.90 115.64 111.49 1f4x s THR 69 Ca 0.37 0.37 -0.07 0.00 0.31 0.00 0.00 61.69 62.67 1f4x s THR 69 Cb -0.10 -0.24 -0.06 0.00 0.01 0.00 0.00 72.50 72.11 1f4x s THR 69 CO 0.30 0.14 0.45 -0.51 -0.69 0.00 0.00 174.62 174.32 1f4x s ILE 70 N 2.23 5.06 0.29 1.82 2.07 -1.26 -0.53 121.20 130.88 1f4x s ILE 70 Ca 0.04 0.22 -0.16 0.00 -1.41 0.00 0.00 60.65 59.35 1f4x s ILE 70 Cb -0.12 -3.62 0.02 0.00 0.13 0.00 0.00 42.46 38.86 1f4x s ILE 70 CO -0.05 -0.02 0.63 -0.94 -1.91 0.00 0.00 174.94 172.66 1f4x s SER 71 N -2.41 -0.05 0.02 4.50 1.04 -0.78 -4.98 113.70 111.03 1f4x s SER 71 Ca 0.44 -0.89 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 1f4x s SER 71 Cb -0.12 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 1f4x s SER 71 CO 0.23 -1.34 -0.01 0.00 0.98 0.00 0.00 173.24 173.10 1f4x s ARG 72 N -3.58 0.37 -0.42 4.02 1.70 -1.26 -0.73 118.95 119.05 1f4x s ARG 72 Ca 0.17 -0.67 0.03 0.00 -0.47 0.00 0.00 55.73 54.80 1f4x s ARG 72 Cb -0.04 0.13 0.12 0.00 -0.57 0.00 0.00 34.95 34.60 1f4x s ARG 72 CO 0.10 -0.07 0.17 0.34 -1.08 0.00 0.00 175.30 174.76 1f4x s ASP 73 N -1.65 4.28 0.27 -2.89 -1.08 -0.31 -4.97 116.67 110.33 1f4x s ASP 73 Ca -0.13 -2.49 -0.03 0.00 -0.52 0.00 0.00 52.55 49.39 1f4x s ASP 73 Cb -0.07 -1.41 0.38 0.00 -1.46 0.00 0.00 42.92 40.36 1f4x s ASP 73 CO -0.02 -0.31 1.90 0.44 0.52 0.00 0.00 175.17 177.70 1f4x h ASP 74 N 7.10 1.06 -0.00 -0.34 3.32 -1.97 0.20 116.42 125.79 1f4x h ASP 74 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1f4x h ASP 74 Cb 0.95 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 1f4x h ASP 74 CO 0.57 0.70 0.00 0.00 -1.72 0.00 0.00 179.24 178.79 1f4x h ALA 75 N 1.44 1.81 -0.39 3.45 0.00 -1.96 -1.49 119.26 122.12 1f4x h ALA 75 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1f4x h ALA 75 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1f4x h ALA 75 CO -0.15 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.72 1f4x n LYS 76 N -4.25 2.72 -2.82 0.00 5.02 0.63 -4.97 118.16 114.49 1f4x n LYS 76 Ca -0.03 -2.11 -0.22 0.00 -2.02 0.00 0.00 58.31 53.93 1f4x n LYS 76 Cb 0.09 -1.32 0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1f4x n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1f4x n ASN 77 N 0.73 -6.03 -4.05 4.39 3.02 -0.56 -4.77 115.26 107.99 1f4x n ASN 77 Ca 0.14 -0.20 -0.23 0.00 -0.03 0.00 0.00 54.58 54.26 1f4x n ASN 77 Cb 0.46 -4.92 -0.16 0.00 -0.61 0.00 0.00 39.78 34.55 1f4x n ASN 77 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1f4x s THR 78 N -3.13 1.06 -0.07 3.41 -1.32 -1.03 0.16 115.64 114.72 1f4x s THR 78 Ca 0.20 -0.50 -0.08 0.00 -1.21 0.00 0.00 61.69 60.10 1f4x s THR 78 Cb -0.09 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 1f4x s THR 78 CO 0.25 0.32 0.21 -0.22 -2.21 0.00 0.00 174.62 172.98 1f4x s LEU 79 N 0.24 4.40 0.20 9.08 2.96 0.47 -1.16 118.68 134.87 1f4x s LEU 79 Ca -0.06 0.57 0.11 0.00 -0.22 0.00 0.00 54.13 54.53 1f4x s LEU 79 Cb -0.11 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1f4x s LEU 79 CO 0.02 0.36 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.92 1f4x s TYR 80 N -1.10 2.42 -0.26 5.38 2.02 0.09 0.57 117.35 126.47 1f4x s TYR 80 Ca 0.19 -0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 56.57 1f4x s TYR 80 Cb -0.13 -1.17 0.08 0.00 -0.40 0.00 0.00 41.96 40.34 1f4x s TYR 80 CO 0.08 0.53 0.07 -1.17 -1.57 0.00 0.00 175.55 173.50 1f4x s LEU 81 N -2.86 1.70 -0.39 -1.29 2.96 -0.98 -1.87 118.68 115.95 1f4x s LEU 81 Ca 0.24 -1.29 -0.24 0.00 -0.22 0.00 0.00 54.13 52.62 1f4x s LEU 81 Cb -0.08 -0.73 0.01 0.00 0.50 0.00 0.00 46.19 45.90 1f4x s LEU 81 CO 0.12 -0.37 0.82 -1.58 -1.32 0.00 0.00 176.35 174.02 1f4x s GLN 82 N 1.74 3.70 -0.18 1.98 2.00 0.31 -1.31 119.66 127.89 1f4x s GLN 82 Ca 0.05 0.28 -0.04 0.00 -2.00 0.00 0.00 55.36 53.65 1f4x s GLN 82 Cb -0.17 -3.84 -0.02 0.00 0.80 0.00 0.00 33.01 29.78 1f4x s GLN 82 CO -0.20 -0.94 -0.02 -1.64 -0.50 0.00 0.00 175.29 172.00 1f4x s MET 83 N 3.24 3.62 0.25 1.67 -1.94 0.93 -0.80 119.30 126.27 1f4x s MET 83 Ca 0.33 -0.53 0.02 0.00 -1.71 0.00 0.00 55.69 53.80 1f4x s MET 83 Cb -0.13 -3.01 -0.05 0.00 2.01 0.00 0.00 34.83 33.66 1f4x s MET 83 CO 0.19 0.09 0.06 -1.54 -0.01 0.00 0.00 175.02 173.80 1f4x s SER 84 N 0.79 1.49 -1.48 3.03 1.04 -0.77 -0.15 113.70 117.64 1f4x s SER 84 Ca -0.00 -1.32 -0.10 0.00 0.48 0.00 0.00 55.95 55.01 1f4x s SER 84 Cb -0.14 0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.13 1f4x s SER 84 CO 0.02 -0.64 0.87 -1.20 0.98 0.00 0.00 173.24 173.27 1f4x n SER 85 N -0.45 -3.56 -4.74 7.02 7.64 -1.04 -4.71 113.62 113.78 1f4x n SER 85 Ca -0.02 -0.82 -0.38 0.00 1.01 0.00 0.00 58.87 58.66 1f4x n SER 85 Cb 0.65 -3.82 0.05 0.00 -1.01 0.00 0.00 64.21 60.09 1f4x n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1f4x s LEU 86 N -7.12 3.77 0.17 -3.43 1.43 -0.34 -4.58 118.68 108.58 1f4x s LEU 86 Ca 0.47 2.75 0.05 0.00 -1.03 0.00 0.00 54.13 56.37 1f4x s LEU 86 Cb -0.23 -4.37 -0.05 0.00 0.03 0.00 0.00 46.19 41.57 1f4x s LEU 86 CO 0.83 -1.72 -0.11 -1.10 0.23 0.00 0.00 176.35 174.48 1f4x s GLN 87 N -3.05 1.16 0.63 1.70 -1.52 -1.26 0.68 119.66 118.00 1f4x s GLN 87 Ca 0.75 -1.51 0.41 0.00 -1.95 0.00 0.00 55.36 53.06 1f4x s GLN 87 Cb -0.40 -0.76 2.08 0.00 -0.22 0.00 0.00 33.01 33.70 1f4x s GLN 87 CO 0.46 0.09 2.25 0.66 -0.25 0.00 0.00 175.29 178.50 1f4x h SER 88 N 2.69 0.00 0.45 5.90 4.64 -1.95 -0.69 113.55 124.59 1f4x h SER 88 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1f4x h SER 88 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1f4x h SER 88 CO 0.63 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.76 1f4x n GLU 89 N -3.12 0.36 0.00 4.77 0.00 -1.26 -2.52 120.64 118.87 1f4x n GLU 89 Ca -0.02 0.05 0.15 0.00 0.00 0.00 0.00 57.16 57.34 1f4x n GLU 89 Cb 0.15 -1.50 0.75 0.00 0.00 0.00 0.00 31.44 30.84 1f4x n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1f4x n ASP 90 N -1.28 0.24 -4.65 -1.84 8.00 -0.27 -4.85 116.55 111.90 1f4x n ASP 90 Ca 0.12 -0.59 -0.43 0.00 0.71 0.00 0.00 54.79 54.60 1f4x n ASP 90 Cb 0.19 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 1f4x n ASP 90 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1f4x s THR 91 N -2.35 3.89 0.09 -3.53 -1.32 -1.05 -4.86 115.64 106.50 1f4x s THR 91 Ca 0.34 1.06 -0.26 0.00 -1.21 0.00 0.00 61.69 61.62 1f4x s THR 91 Cb 0.21 -3.76 0.09 0.00 -1.51 0.00 0.00 72.50 67.52 1f4x s THR 91 CO 0.43 -0.19 1.14 0.00 -2.21 0.00 0.00 174.62 173.80 1f4x s ALA 92 N 4.20 -1.94 -0.18 11.08 0.00 -0.75 -4.35 121.76 129.81 1f4x s ALA 92 Ca 0.65 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.59 1f4x s ALA 92 Cb -0.26 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1f4x s ALA 92 CO 0.24 -1.08 0.16 -1.64 0.00 0.00 0.00 175.76 173.44 1f4x s MET 93 N -2.42 4.14 -0.14 0.00 -1.94 -0.34 -1.19 119.30 117.41 1f4x s MET 93 Ca 0.20 -0.15 -0.06 0.00 -1.71 0.00 0.00 55.69 53.96 1f4x s MET 93 Cb -0.00 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 1f4x s MET 93 CO 0.01 0.33 0.07 0.71 -0.01 0.00 0.00 175.02 176.14 1f4x s TYR 94 N 0.26 3.34 -0.01 -0.03 1.51 -0.70 -0.17 117.35 121.54 1f4x s TYR 94 Ca 0.10 0.24 0.03 0.00 -1.01 0.00 0.00 57.07 56.44 1f4x s TYR 94 Cb -0.11 -1.98 -0.00 0.00 -0.11 0.00 0.00 41.96 39.76 1f4x s TYR 94 CO -0.00 0.40 -0.10 0.71 -1.11 0.00 0.00 175.55 175.44 1f4x s TYR 95 N -0.32 0.96 0.02 2.71 2.02 -0.62 -1.18 117.35 120.94 1f4x s TYR 95 Ca 0.09 -0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 1f4x s TYR 95 Cb -0.12 -0.64 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 1f4x s TYR 95 CO 0.02 -0.05 0.16 0.00 -1.57 0.00 0.00 175.55 174.11 1f4x s THR 97 N -1.36 0.56 -0.00 0.00 -4.23 -0.46 -1.51 115.64 108.64 1f4x s THR 97 Ca 0.29 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1f4x s THR 97 Cb -0.13 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 1f4x s THR 97 CO 0.21 -0.60 0.02 0.00 -0.54 0.00 0.00 174.62 173.70 1f4x s ARG 98 N -2.55 2.86 -0.62 3.99 1.70 -1.15 -1.27 118.95 121.92 1f4x s ARG 98 Ca -0.01 -0.57 -0.21 0.00 -0.47 0.00 0.00 55.73 54.46 1f4x s ARG 98 Cb -0.03 -2.72 0.08 0.00 -0.57 0.00 0.00 34.95 31.70 1f4x s ARG 98 CO -0.02 0.63 0.87 -1.01 -1.08 0.00 0.00 175.30 174.69 1f4x s HIS 99 N -1.11 2.80 -1.08 5.89 3.76 -0.28 -3.39 115.29 121.89 1f4x s HIS 99 Ca 0.20 -0.61 -0.12 0.00 -0.15 0.00 0.00 55.06 54.38 1f4x s HIS 99 Cb -0.12 -4.14 0.23 0.00 1.11 0.00 0.00 32.58 29.66 1f4x s HIS 99 CO 0.11 -1.49 1.14 0.12 -0.85 0.00 0.00 174.74 173.77 1f4x s PHE 100 N 3.59 3.92 -1.15 1.40 5.36 0.12 -4.24 117.98 126.98 1f4x s PHE 100 Ca 0.19 -2.35 -0.01 0.00 -0.96 0.00 0.00 56.93 53.80 1f4x s PHE 100 Cb -0.19 -3.99 -0.02 0.00 -0.34 0.00 0.00 43.02 38.49 1f4x s PHE 100 CO 0.10 -1.11 0.97 0.66 -1.46 0.00 0.00 175.22 174.38 1f4x n TYR 101 N 3.91 -2.24 -1.03 10.12 4.02 -1.26 -2.14 117.16 128.54 1f4x n TYR 101 Ca 0.25 0.91 -0.01 0.00 -0.01 0.00 0.00 57.90 59.05 1f4x n TYR 101 Cb 0.42 -4.82 -0.00 0.00 -0.02 0.00 0.00 39.34 34.91 1f4x n TYR 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1f4x n ALA 102 N -3.88 -0.01 -3.20 -0.72 0.00 -1.26 -4.97 120.51 106.47 1f4x n ALA 102 Ca -0.23 0.02 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 1f4x n ALA 102 Cb 0.66 -0.74 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 1f4x n ALA 102 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1f4x s VAL 103 N -1.62 3.64 -1.32 0.00 1.01 -0.91 -5.03 120.40 116.17 1f4x s VAL 103 Ca 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1f4x s VAL 103 Cb 0.00 -2.63 0.09 0.00 0.00 0.00 0.00 36.38 33.84 1f4x s VAL 103 CO 0.00 0.45 1.82 0.18 0.00 0.00 0.00 175.10 177.54 1f4x n LEU 104 N 4.23 5.57 -0.09 3.92 4.77 -1.26 0.15 117.00 134.31 1f4x n LEU 104 Ca -0.18 -4.12 -0.16 0.00 -0.03 0.00 0.00 56.01 51.52 1f4x n LEU 104 Cb 0.52 -1.69 -0.11 0.00 -2.33 0.00 0.00 43.42 39.81 1f4x n LEU 104 CO 0.31 0.57 -0.12 -2.24 -1.33 0.00 0.00 177.39 174.57 1f4x h ASP 105 N 6.98 0.00 -3.16 -1.43 2.03 -1.91 -3.46 116.42 115.47 1f4x h ASP 105 Ca 0.45 -0.63 -0.60 0.00 -0.73 0.00 0.00 57.03 55.51 1f4x h ASP 105 Cb 0.80 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.20 1f4x h ASP 105 CO 1.54 1.19 -0.36 -0.31 -1.03 0.00 0.00 179.24 180.27 1f4x s TYR 106 N -2.25 3.50 0.08 4.15 2.02 -1.26 -5.03 117.35 118.56 1f4x s TYR 106 Ca -0.22 0.58 0.09 0.00 -0.37 0.00 0.00 57.07 57.15 1f4x s TYR 106 Cb 0.02 -2.25 -0.03 0.00 -0.40 0.00 0.00 41.96 39.30 1f4x s TYR 106 CO 0.57 0.36 -0.23 -1.58 -1.57 0.00 0.00 175.55 173.10 1f4x s TRP 107 N 0.07 2.41 0.59 2.71 0.52 -1.26 -2.93 118.94 121.05 1f4x s TRP 107 Ca 0.16 -0.34 -0.10 0.00 0.02 0.00 0.00 56.10 55.84 1f4x s TRP 107 Cb -0.13 -1.36 0.14 0.00 -1.15 0.00 0.00 33.47 30.97 1f4x s TRP 107 CO 0.04 0.26 0.73 0.41 0.02 0.00 0.00 176.95 178.41 1f4x n GLY 108 N 1.32 -1.63 0.20 0.98 0.00 -0.57 -4.74 105.19 100.74 1f4x n GLY 108 Ca -0.17 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.32 1f4x n GLY 108 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1f4x h ARG 109 N 0.00 0.00 0.00 1.61 3.08 -1.91 -3.46 114.38 113.69 1f4x h ARG 109 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1f4x h ARG 109 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1f4x h ARG 109 CO 0.17 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.50 1f4x n GLY 110 N 1.12 -0.07 2.94 0.04 0.00 -1.26 -5.01 105.19 102.95 1f4x n GLY 110 Ca 0.03 -1.62 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 1f4x n GLY 110 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1f4x s THR 111 N -2.97 0.42 0.06 2.61 -1.32 -0.33 -4.70 115.64 109.42 1f4x s THR 111 Ca 0.00 -0.19 -0.25 0.00 -1.21 0.00 0.00 61.69 60.04 1f4x s THR 111 Cb 0.00 -0.38 -0.06 0.00 -1.51 0.00 0.00 72.50 70.55 1f4x s THR 111 CO 0.00 0.14 0.78 -0.89 -2.21 0.00 0.00 174.62 172.44 1f4x s THR 112 N 0.13 4.68 -0.16 5.08 2.01 -1.26 -1.72 115.64 124.40 1f4x s THR 112 Ca -0.01 1.66 0.01 0.00 0.31 0.00 0.00 61.69 63.66 1f4x s THR 112 Cb -0.05 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.35 1f4x s THR 112 CO -0.00 0.38 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.92 1f4x s LEU 113 N -0.18 1.89 -0.19 4.42 2.96 -0.33 -1.32 118.68 125.93 1f4x s LEU 113 Ca 0.39 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1f4x s LEU 113 Cb -0.21 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.17 1f4x s LEU 113 CO 0.24 -0.02 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.21 1f4x s THR 114 N 1.35 2.51 -0.33 3.68 2.01 -0.88 -1.81 115.64 122.16 1f4x s THR 114 Ca 0.04 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.18 1f4x s THR 114 Cb -0.13 -2.09 0.03 0.00 0.01 0.00 0.00 72.50 70.33 1f4x s THR 114 CO -0.11 0.50 0.10 -0.69 -0.69 0.00 0.00 174.62 173.73 1f4x s VAL 115 N 1.28 3.81 -0.02 3.82 1.01 -1.26 -1.80 120.40 127.24 1f4x s VAL 115 Ca 0.04 -1.06 -0.23 0.00 0.00 0.00 0.00 61.98 60.73 1f4x s VAL 115 Cb -0.14 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.17 1f4x s VAL 115 CO -0.08 -0.13 0.51 -0.55 0.00 0.00 0.00 175.10 174.85 1f4x s SER 116 N 1.42 -0.44 0.00 3.32 0.15 -0.68 -4.38 113.70 113.09 1f4x s SER 116 Ca -0.01 0.38 0.22 0.00 0.70 0.00 0.00 55.95 57.24 1f4x s SER 116 Cb -0.19 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1f4x s SER 116 CO 0.03 -0.57 1.09 -1.54 1.20 0.00 0.00 173.24 173.44 1f4x n SER 117 N 0.94 2.18 -4.46 5.45 3.41 -1.26 -4.13 113.62 115.75 1f4x n SER 117 Ca -0.20 -1.59 -0.37 0.00 -0.26 0.00 0.00 58.87 56.45 1f4x n SER 117 Cb 0.57 0.37 0.05 0.00 -0.26 0.00 0.00 64.21 64.94 1f4x n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f4x n ALA 118 N 0.27 -1.39 -2.47 7.33 0.00 -1.26 -5.01 120.51 117.98 1f4x n ALA 118 Ca 0.10 -0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 1f4x n ALA 118 Cb 0.48 -1.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 1f4x n ALA 118 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1f4x s LYS 119 N -2.41 3.08 0.05 0.00 -0.14 -1.26 -5.03 119.74 114.03 1f4x s LYS 119 Ca 0.67 -1.04 -0.30 0.00 -1.36 0.00 0.00 55.97 53.93 1f4x s LYS 119 Cb -0.39 -2.78 -0.09 0.00 -1.68 0.00 0.00 37.83 32.88 1f4x s LYS 119 CO 0.56 0.07 1.84 0.99 -0.76 0.00 0.00 175.35 178.05 1f4x s THR 120 N -2.19 2.96 -0.04 2.17 2.01 -1.26 -4.70 115.64 114.60 1f4x s THR 120 Ca 0.45 0.19 -0.00 0.00 0.31 0.00 0.00 61.69 62.64 1f4x s THR 120 Cb -0.09 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 69.32 1f4x s THR 120 CO 0.31 -0.01 0.01 0.28 -0.69 0.00 0.00 174.62 174.51 1f4x s THR 121 N 3.65 0.17 0.67 -0.82 -1.32 0.35 -4.95 115.64 113.39 1f4x s THR 121 Ca 0.82 0.13 -0.13 0.00 -1.21 0.00 0.00 61.69 61.30 1f4x s THR 121 Cb -0.42 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 1f4x s THR 121 CO 0.37 0.17 1.08 -2.16 -2.21 0.00 0.00 174.62 171.87 1f4x s PRO 122 N 1.29 2.87 0.54 7.08 0.04 -1.26 -1.26 135.00 144.29 1f4x s PRO 122 Ca -0.06 1.21 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 1f4x s PRO 122 Cb -0.13 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1f4x s PRO 122 CO -0.02 -1.17 0.85 -1.25 0.04 0.00 0.00 177.00 175.44 1f4x s PRO 123 N -4.44 3.26 -0.02 0.56 0.04 -1.26 -4.54 135.00 128.59 1f4x s PRO 123 Ca 0.63 0.13 -0.01 0.00 0.04 0.00 0.00 61.00 61.78 1f4x s PRO 123 Cb -0.17 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1f4x s PRO 123 CO 0.46 -0.45 0.10 -1.12 0.04 0.00 0.00 177.00 176.03 1f4x s SER 124 N -4.20 5.84 -0.13 6.66 0.01 0.43 -4.90 113.70 117.41 1f4x s SER 124 Ca 0.51 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.99 1f4x s SER 124 Cb -0.10 -1.72 0.01 0.00 0.21 0.00 0.00 66.02 64.42 1f4x s SER 124 CO 0.45 0.28 -0.19 -0.69 0.41 0.00 0.00 173.24 173.51 1f4x s VAL 125 N -1.20 1.82 0.12 3.43 1.01 -1.26 0.08 120.40 124.40 1f4x s VAL 125 Ca 0.23 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1f4x s VAL 125 Cb -0.12 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1f4x s VAL 125 CO 0.14 0.50 -0.22 -0.31 0.00 0.00 0.00 175.10 175.21 1f4x s TYR 126 N 0.97 1.95 0.20 5.22 2.02 0.09 -4.98 117.35 122.82 1f4x s TYR 126 Ca -0.05 -0.41 -0.18 0.00 -0.37 0.00 0.00 57.07 56.06 1f4x s TYR 126 Cb -0.15 -1.05 -0.08 0.00 -0.40 0.00 0.00 41.96 40.28 1f4x s TYR 126 CO -0.04 0.26 0.67 -1.25 -1.57 0.00 0.00 175.55 173.63 1f4x s PRO 127 N -2.05 4.17 -0.33 -1.71 0.04 -1.26 -0.71 135.00 133.15 1f4x s PRO 127 Ca 0.10 0.75 -0.00 0.00 0.04 0.00 0.00 61.00 61.89 1f4x s PRO 127 Cb -0.10 -2.90 0.08 0.00 0.04 0.00 0.00 34.50 31.62 1f4x s PRO 127 CO 0.05 0.42 0.05 -0.51 0.04 0.00 0.00 177.00 177.05 1f4x s LEU 128 N -1.96 4.36 -0.07 -3.56 1.43 0.76 -4.83 118.68 114.82 1f4x s LEU 128 Ca 0.41 -1.67 0.01 0.00 -1.03 0.00 0.00 54.13 51.85 1f4x s LEU 128 Cb -0.16 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1f4x s LEU 128 CO 0.20 -0.35 -0.06 0.00 0.23 0.00 0.00 176.35 176.37 1f4x s ALA 129 N 1.13 3.01 0.29 4.21 0.00 -1.26 -0.65 121.76 128.47 1f4x s ALA 129 Ca 0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 1f4x s ALA 129 Cb -0.20 -1.25 0.57 0.00 0.00 0.00 0.00 23.12 22.24 1f4x s ALA 129 CO -0.04 0.57 1.52 -2.30 0.00 0.00 0.00 175.76 175.51 1f4x n PRO 130 N 2.23 -0.08 -2.71 0.00 -0.02 -1.26 -4.82 135.00 128.33 1f4x n PRO 130 Ca -0.18 1.49 -0.08 0.00 -2.02 0.00 0.00 63.50 62.71 1f4x n PRO 130 Cb 0.53 -2.29 0.04 0.00 -0.02 0.00 0.00 33.50 31.76 1f4x n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f4x n GLY 131 N -1.56 0.14 0.00 -1.23 0.00 -1.26 -5.00 105.19 96.28 1f4x n GLY 131 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1f4x n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1f4x n SER 132 N -1.58 0.00 -1.09 1.61 2.88 -1.26 -4.98 113.62 109.20 1f4x n SER 132 Ca -0.09 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.52 1f4x n SER 132 Cb 0.56 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.27 1f4x n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1f4x n ALA 133 N -0.82 2.64 1.37 -1.46 0.00 -1.26 -4.08 120.51 116.90 1f4x n ALA 133 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 53.44 52.43 1f4x n ALA 133 Cb 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.49 1f4x n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f4x n ALA 134 N 0.93 2.55 -0.42 0.00 0.00 -1.26 -4.91 120.51 117.39 1f4x n ALA 134 Ca 0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 1f4x n ALA 134 Cb 0.55 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 1f4x n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f4x n GLN 135 N -0.15 0.00 -0.04 0.00 -0.00 -1.26 -4.75 117.38 111.18 1f4x n GLN 135 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 57.01 1f4x n GLN 135 Cb 0.18 -0.28 -0.01 0.00 -0.00 0.00 0.00 30.24 30.12 1f4x n GLN 135 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1f4x n THR 136 N 1.56 -0.07 -1.47 -0.39 -2.24 -1.26 -4.66 114.28 105.75 1f4x n THR 136 Ca 0.19 0.43 0.00 0.00 -2.27 0.00 0.00 64.05 62.40 1f4x n THR 136 Cb 0.04 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1f4x n THR 136 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1f4x n ASN 137 N -3.09 0.00 -1.14 3.42 3.02 -1.26 -5.00 115.26 111.20 1f4x n ASN 137 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 1f4x n ASN 137 Cb 0.03 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.43 1f4x n ASN 137 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1f4x n SER 138 N 0.00 3.51 -4.29 6.41 3.41 -1.26 -4.84 113.62 116.56 1f4x n SER 138 Ca 0.00 -1.97 -0.31 0.00 -0.26 0.00 0.00 58.87 56.33 1f4x n SER 138 Cb 0.00 -0.32 -0.16 0.00 -0.26 0.00 0.00 64.21 63.47 1f4x n SER 138 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1f4x s MET 139 N -1.24 2.14 -0.06 4.33 -1.94 -1.26 0.15 119.30 121.42 1f4x s MET 139 Ca 0.39 -0.90 0.03 0.00 -1.71 0.00 0.00 55.69 53.51 1f4x s MET 139 Cb 0.22 -2.01 0.00 0.00 2.01 0.00 0.00 34.83 35.05 1f4x s MET 139 CO 0.30 0.51 -0.16 0.54 -0.01 0.00 0.00 175.02 176.20 1f4x s VAL 140 N -0.51 1.41 -0.17 -6.03 0.11 0.97 -4.75 120.40 111.44 1f4x s VAL 140 Ca 0.07 -0.67 -0.07 0.00 -2.93 0.00 0.00 61.98 58.38 1f4x s VAL 140 Cb -0.11 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.47 1f4x s VAL 140 CO -0.00 0.41 0.05 0.28 -3.33 0.00 0.00 175.10 172.52 1f4x s THR 141 N 0.33 4.73 0.40 5.04 -1.32 -1.26 -0.90 115.64 122.66 1f4x s THR 141 Ca -0.10 -0.06 0.05 0.00 -1.21 0.00 0.00 61.69 60.37 1f4x s THR 141 Cb -0.14 -3.11 -0.06 0.00 -1.51 0.00 0.00 72.50 67.67 1f4x s THR 141 CO 0.04 0.48 0.03 -0.76 -2.21 0.00 0.00 174.62 172.20 1f4x s LEU 142 N 0.23 2.54 0.00 9.08 2.01 0.17 -4.45 118.68 128.26 1f4x s LEU 142 Ca 0.04 -1.43 -0.17 0.00 0.01 0.00 0.00 54.13 52.58 1f4x s LEU 142 Cb -0.12 -0.68 0.06 0.00 0.01 0.00 0.00 46.19 45.46 1f4x s LEU 142 CO 0.01 -0.59 0.83 0.61 1.01 0.00 0.00 176.35 178.22 1f4x n GLY 143 N -0.93 0.86 2.84 -3.19 0.00 0.17 -1.53 105.19 103.41 1f4x n GLY 143 Ca -0.06 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.58 1f4x n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4x s LEU 145 N 1.28 4.45 -0.54 0.00 2.96 0.12 -1.46 118.68 125.49 1f4x s LEU 145 Ca -0.06 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.42 1f4x s LEU 145 Cb -0.13 -2.19 0.14 0.00 0.50 0.00 0.00 46.19 44.50 1f4x s LEU 145 CO -0.02 -0.25 0.43 -0.69 -1.32 0.00 0.00 176.35 174.51 1f4x s VAL 146 N 1.81 4.52 0.06 1.68 1.01 -0.16 -0.73 120.40 128.59 1f4x s VAL 146 Ca 0.08 -1.92 0.05 0.00 0.00 0.00 0.00 61.98 60.19 1f4x s VAL 146 Cb -0.17 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1f4x s VAL 146 CO 0.11 -0.83 -0.07 -0.75 0.00 0.00 0.00 175.10 173.56 1f4x s LYS 147 N 1.14 2.39 -0.92 2.72 2.20 0.11 -1.39 119.74 125.99 1f4x s LYS 147 Ca 0.08 -0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 54.82 1f4x s LYS 147 Cb -0.25 -2.43 -0.01 0.00 -1.51 0.00 0.00 37.83 33.63 1f4x s LYS 147 CO -0.01 0.55 0.77 0.41 -0.36 0.00 0.00 175.35 176.72 1f4x n GLY 148 N 1.02 -0.25 3.78 5.54 0.00 -0.64 -0.43 105.19 114.22 1f4x n GLY 148 Ca -0.14 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1f4x n GLY 148 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f4x s TYR 149 N -3.28 2.50 -0.29 1.61 -0.85 -0.80 -4.45 117.35 111.80 1f4x s TYR 149 Ca 0.04 -0.61 -0.18 0.00 -0.52 0.00 0.00 57.07 55.80 1f4x s TYR 149 Cb -0.01 -1.98 0.12 0.00 0.38 0.00 0.00 41.96 40.48 1f4x s TYR 149 CO 0.57 0.07 0.92 0.12 -1.52 0.00 0.00 175.55 175.70 1f4x s PHE 150 N -2.60 -0.67 0.00 -3.49 5.36 -0.39 -0.30 117.98 115.89 1f4x s PHE 150 Ca 0.40 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 1f4x s PHE 150 Cb 0.02 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.11 1f4x s PHE 150 CO 0.23 -0.33 0.00 -0.35 -1.46 0.00 0.00 175.22 173.31 1f4x n PRO 151 N 3.54 2.27 -2.57 10.12 -0.04 -1.26 -0.49 135.00 146.56 1f4x n PRO 151 Ca -0.18 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.01 1f4x n PRO 151 Cb 0.57 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.04 1f4x n PRO 151 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1f4x s GLU 152 N 1.47 3.41 0.00 0.54 0.41 -1.26 -4.78 118.70 118.49 1f4x s GLU 152 Ca 0.00 0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 1f4x s GLU 152 Cb 0.00 -2.35 0.00 0.00 -1.78 0.00 0.00 34.13 30.00 1f4x s GLU 152 CO 0.00 -0.32 0.00 -0.35 -0.49 0.00 0.00 175.26 174.10 1f4x n PRO 153 N -2.34 1.65 -4.20 0.39 -0.04 -1.26 -4.95 135.00 124.25 1f4x n PRO 153 Ca 0.02 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.31 1f4x n PRO 153 Cb 0.56 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.90 1f4x n PRO 153 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1f4x s VAL 154 N 0.61 1.13 -0.05 0.52 -7.23 -1.26 -4.29 120.40 109.83 1f4x s VAL 154 Ca 0.00 -1.61 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 1f4x s VAL 154 Cb 0.00 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.56 1f4x s VAL 154 CO 0.00 -0.44 -0.20 0.42 -0.31 0.00 0.00 175.10 174.57 1f4x s THR 155 N -2.11 1.66 -0.10 5.32 -4.23 -0.47 -4.99 115.64 110.72 1f4x s THR 155 Ca 0.06 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 1f4x s THR 155 Cb -0.05 -1.41 -0.02 0.00 1.34 0.00 0.00 72.50 72.36 1f4x s THR 155 CO 0.02 0.47 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.74 1f4x s VAL 156 N -0.07 3.02 0.21 2.29 1.01 -1.26 -1.07 120.40 124.54 1f4x s VAL 156 Ca -0.03 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1f4x s VAL 156 Cb -0.12 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1f4x s VAL 156 CO 0.02 0.55 0.00 0.42 0.00 0.00 0.00 175.10 176.09 1f4x s THR 157 N 0.02 0.91 -0.05 3.92 -4.23 -0.43 -4.96 115.64 110.82 1f4x s THR 157 Ca -0.04 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.50 1f4x s THR 157 Cb -0.14 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 1f4x s THR 157 CO 0.04 -0.36 -0.21 0.26 -0.54 0.00 0.00 174.62 173.82 1f4x s TRP 158 N -3.50 2.05 -1.52 3.99 0.52 -1.26 -0.80 118.94 118.42 1f4x s TRP 158 Ca 0.27 -0.57 -0.05 0.00 0.02 0.00 0.00 56.10 55.77 1f4x s TRP 158 Cb 0.06 -1.36 0.04 0.00 -1.15 0.00 0.00 33.47 31.07 1f4x s TRP 158 CO 0.08 -0.17 0.43 0.09 0.02 0.00 0.00 176.95 177.39 1f4x n ASN 159 N 2.98 -0.80 -2.53 2.95 3.02 -0.15 -0.39 115.26 120.35 1f4x n ASN 159 Ca -0.17 -1.07 -0.16 0.00 -0.03 0.00 0.00 54.58 53.15 1f4x n ASN 159 Cb 0.52 -2.66 -0.00 0.00 -0.61 0.00 0.00 39.78 37.03 1f4x n ASN 159 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1f4x n SER 160 N -2.88 -4.52 0.00 6.41 7.64 -1.26 -1.80 113.62 117.22 1f4x n SER 160 Ca -0.21 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1f4x n SER 160 Cb 0.64 -3.79 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 1f4x n SER 160 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f4x n GLY 161 N -0.92 0.21 0.20 0.23 0.00 0.47 -4.92 105.19 100.45 1f4x n GLY 161 Ca -0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1f4x n GLY 161 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f4x h SER 162 N 0.00 0.00 -3.51 1.61 0.02 -1.26 -3.39 113.55 107.02 1f4x h SER 162 Ca 0.00 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.24 1f4x h SER 162 Cb 0.00 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.25 1f4x h SER 162 CO 0.00 0.24 -0.51 -0.22 -1.14 0.00 0.00 176.83 175.20 1f4x s LEU 163 N -6.47 4.98 0.00 5.07 2.96 -1.14 -4.92 118.68 119.16 1f4x s LEU 163 Ca 0.03 -1.52 0.00 0.00 -0.22 0.00 0.00 54.13 52.43 1f4x s LEU 163 Cb 0.08 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.84 1f4x s LEU 163 CO 0.67 -0.49 0.00 -1.54 -1.32 0.00 0.00 176.35 173.67 1f4x n SER 164 N 4.84 0.58 -4.83 3.68 3.41 -1.26 -4.24 113.62 115.79 1f4x n SER 164 Ca -0.09 -0.15 -0.35 0.00 -0.26 0.00 0.00 58.87 58.01 1f4x n SER 164 Cb 0.43 0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 64.74 1f4x n SER 164 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1f4x s SER 165 N -0.54 6.92 -0.32 4.04 1.04 -1.26 -4.06 113.70 119.51 1f4x s SER 165 Ca 0.00 1.26 -0.00 0.00 0.48 0.00 0.00 55.95 57.69 1f4x s SER 165 Cb 0.00 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1f4x s SER 165 CO 0.00 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1f4x n GLY 166 N 0.55 0.22 3.69 7.32 0.00 -1.26 -4.67 105.19 111.04 1f4x n GLY 166 Ca -0.02 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1f4x n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f4x s VAL 167 N -2.20 5.06 -0.08 1.61 1.01 -1.26 -2.51 120.40 122.03 1f4x s VAL 167 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1f4x s VAL 167 Cb -0.00 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1f4x s VAL 167 CO 0.00 0.47 -0.10 -1.00 0.00 0.00 0.00 175.10 174.48 1f4x s HIS 168 N 0.18 1.34 -0.21 5.22 3.76 0.44 -4.96 115.29 121.06 1f4x s HIS 168 Ca 0.06 -0.53 -0.00 0.00 -0.15 0.00 0.00 55.06 54.44 1f4x s HIS 168 Cb -0.12 -1.05 0.02 0.00 1.11 0.00 0.00 32.58 32.55 1f4x s HIS 168 CO -0.00 -0.33 -0.14 0.99 -0.85 0.00 0.00 174.74 174.41 1f4x s THR 169 N 1.01 2.44 0.54 1.30 2.01 -1.26 0.40 115.64 122.08 1f4x s THR 169 Ca -0.08 -0.97 -0.10 0.00 0.31 0.00 0.00 61.69 60.85 1f4x s THR 169 Cb -0.15 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1f4x s THR 169 CO -0.00 0.39 0.93 -0.36 -0.69 0.00 0.00 174.62 174.88 1f4x s PHE 170 N 1.30 3.56 0.61 4.92 0.40 -0.55 -5.00 117.98 123.24 1f4x s PHE 170 Ca 0.03 1.17 -0.18 0.00 -0.60 0.00 0.00 56.93 57.34 1f4x s PHE 170 Cb -0.15 -2.59 -0.03 0.00 0.51 0.00 0.00 43.02 40.77 1f4x s PHE 170 CO -0.09 -0.46 1.24 -1.25 0.70 0.00 0.00 175.22 175.36 1f4x s PRO 171 N -4.71 2.81 0.43 0.24 0.04 -1.26 -4.51 135.00 128.04 1f4x s PRO 171 Ca 0.53 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 63.29 1f4x s PRO 171 Cb -0.11 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1f4x s PRO 171 CO 0.45 -1.35 0.92 0.00 0.04 0.00 0.00 177.00 177.05 1f4x s ALA 172 N -1.53 3.10 0.24 8.56 0.00 -1.26 -4.78 121.76 126.09 1f4x s ALA 172 Ca 0.79 0.29 0.10 0.00 0.00 0.00 0.00 51.96 53.14 1f4x s ALA 172 Cb -0.33 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1f4x s ALA 172 CO 0.36 0.09 -0.12 0.14 0.00 0.00 0.00 175.76 176.23 1f4x s VAL 173 N -2.23 2.94 -0.51 0.00 -7.23 0.46 -4.90 120.40 108.93 1f4x s VAL 173 Ca 0.60 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 1f4x s VAL 173 Cb -0.09 -2.52 0.11 0.00 0.56 0.00 0.00 36.38 34.44 1f4x s VAL 173 CO 0.17 -0.29 0.45 -0.22 -0.31 0.00 0.00 175.10 174.90 1f4x s LEU 174 N -3.30 5.93 -0.44 1.32 2.96 -1.26 -0.64 118.68 123.25 1f4x s LEU 174 Ca 0.28 -1.61 -0.11 0.00 -0.22 0.00 0.00 54.13 52.47 1f4x s LEU 174 Cb -0.07 -2.19 0.09 0.00 0.50 0.00 0.00 46.19 44.52 1f4x s LEU 174 CO 0.16 -0.76 0.31 -1.10 -1.32 0.00 0.00 176.35 173.64 1f4x s GLN 175 N 1.60 2.68 -1.16 1.98 -0.21 0.29 -4.71 119.66 120.12 1f4x s GLN 175 Ca 0.03 -1.49 -0.03 0.00 0.02 0.00 0.00 55.36 53.90 1f4x s GLN 175 Cb -0.28 -3.90 0.00 0.00 1.00 0.00 0.00 33.01 29.84 1f4x s GLN 175 CO 0.04 -1.02 0.99 0.43 -2.12 0.00 0.00 175.29 173.61 1f4x n SER 176 N 4.99 -3.31 0.00 5.90 7.64 -1.26 -2.01 113.62 125.57 1f4x n SER 176 Ca -0.10 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1f4x n SER 176 Cb 0.43 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.84 1f4x n SER 176 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1f4x n ASP 177 N -2.90 0.00 -4.27 6.43 8.00 -1.26 -5.02 116.55 117.53 1f4x n ASP 177 Ca -0.18 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.17 1f4x n ASP 177 Cb 0.63 -0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 41.45 1f4x n ASP 177 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1f4x s LEU 178 N 0.00 2.51 0.29 0.64 1.43 -0.85 -4.84 118.68 117.86 1f4x s LEU 178 Ca 0.00 -1.03 -0.05 0.00 -1.03 0.00 0.00 54.13 52.02 1f4x s LEU 178 Cb 0.00 -0.40 -0.05 0.00 0.03 0.00 0.00 46.19 45.77 1f4x s LEU 178 CO 0.00 -0.32 0.56 -0.31 0.23 0.00 0.00 176.35 176.51 1f4x s TYR 179 N -3.27 3.47 0.01 0.29 2.02 0.59 -0.55 117.35 119.91 1f4x s TYR 179 Ca 0.19 0.66 -0.01 0.00 -0.37 0.00 0.00 57.07 57.54 1f4x s TYR 179 Cb 0.02 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 39.45 1f4x s TYR 179 CO 0.02 0.17 0.00 0.99 -1.57 0.00 0.00 175.55 175.16 1f4x s THR 180 N -2.08 0.06 0.18 -0.71 2.01 0.19 -1.62 115.64 113.67 1f4x s THR 180 Ca 0.44 -0.46 -0.18 0.00 0.31 0.00 0.00 61.69 61.80 1f4x s THR 180 Cb -0.11 -0.16 0.04 0.00 0.01 0.00 0.00 72.50 72.28 1f4x s THR 180 CO 0.30 -0.25 0.52 -1.48 -0.69 0.00 0.00 174.62 173.01 1f4x s LEU 181 N -0.75 0.01 0.13 4.42 2.34 -0.48 -0.40 118.68 123.94 1f4x s LEU 181 Ca -0.08 -0.37 0.07 0.00 0.06 0.00 0.00 54.13 53.81 1f4x s LEU 181 Cb -0.05 2.19 -0.04 0.00 -0.56 0.00 0.00 46.19 47.73 1f4x s LEU 181 CO -0.00 -1.01 -0.16 -0.44 -1.06 0.00 0.00 176.35 173.67 1f4x s SER 182 N -2.84 2.30 0.01 1.48 0.01 -1.26 -0.99 113.70 112.41 1f4x s SER 182 Ca 0.07 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.53 1f4x s SER 182 Cb -0.01 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 1f4x s SER 182 CO -0.06 -0.08 -0.04 -0.55 0.41 0.00 0.00 173.24 172.92 1f4x s SER 183 N -2.42 0.45 0.13 2.44 0.15 -0.53 -1.48 113.70 112.43 1f4x s SER 183 Ca 0.10 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.53 1f4x s SER 183 Cb -0.06 0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1f4x s SER 183 CO 0.04 -0.08 -0.05 -0.94 1.20 0.00 0.00 173.24 173.42 1f4x s SER 184 N -0.67 1.25 -0.05 5.45 1.04 0.16 -1.71 113.70 119.19 1f4x s SER 184 Ca -0.04 -1.06 -0.08 0.00 0.48 0.00 0.00 55.95 55.25 1f4x s SER 184 Cb -0.05 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.18 1f4x s SER 184 CO -0.00 -0.48 0.19 0.54 0.98 0.00 0.00 173.24 174.47 1f4x s VAL 185 N -3.59 0.03 -0.12 5.02 0.11 -0.58 -0.42 120.40 120.84 1f4x s VAL 185 Ca 0.16 -0.26 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 1f4x s VAL 185 Cb 0.05 -0.36 -0.00 0.00 -1.53 0.00 0.00 36.38 34.53 1f4x s VAL 185 CO -0.01 -0.14 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.54 1f4x s THR 186 N -0.49 2.48 0.17 5.04 2.01 -1.05 -0.66 115.64 123.15 1f4x s THR 186 Ca -0.06 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1f4x s THR 186 Cb -0.04 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 1f4x s THR 186 CO 0.01 0.54 -0.06 0.68 -0.69 0.00 0.00 174.62 175.10 1f4x s VAL 187 N 0.48 1.07 0.26 3.82 -7.23 -0.08 -4.74 120.40 113.99 1f4x s VAL 187 Ca -0.13 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.71 1f4x s VAL 187 Cb -0.17 -2.01 -0.10 0.00 0.56 0.00 0.00 36.38 34.67 1f4x s VAL 187 CO 0.05 -0.61 1.36 -2.84 -0.31 0.00 0.00 175.10 172.76 1f4x s PRO 188 N -3.80 4.33 0.55 4.82 0.02 -1.26 -0.02 135.00 139.64 1f4x s PRO 188 Ca 0.21 2.21 0.42 0.00 0.02 0.00 0.00 61.00 63.85 1f4x s PRO 188 Cb 0.04 -3.12 1.62 0.00 0.02 0.00 0.00 34.50 33.06 1f4x s PRO 188 CO 0.03 -0.30 1.73 1.03 -0.33 0.00 0.00 177.00 179.16 1f4x h SER 189 N 4.57 0.00 0.52 2.53 0.87 0.10 0.18 113.55 122.33 1f4x h SER 189 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1f4x h SER 189 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1f4x h SER 189 CO 0.73 -0.00 -0.07 -1.54 -0.53 0.00 0.00 176.83 175.42 1f4x n SER 190 N -4.10 0.22 0.08 6.23 3.41 -1.26 -3.96 113.62 114.24 1f4x n SER 190 Ca 0.32 -0.26 -0.23 0.00 -0.26 0.00 0.00 58.87 58.44 1f4x n SER 190 Cb 1.51 -0.19 -0.15 0.00 -0.26 0.00 0.00 64.21 65.13 1f4x n SER 190 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1f4x h THR 191 N 0.23 1.17 -3.92 6.66 2.02 -1.00 -3.43 112.91 114.64 1f4x h THR 191 Ca 0.00 -2.55 -0.48 0.00 0.77 0.00 0.00 66.41 64.15 1f4x h THR 191 Cb 0.35 2.93 -0.31 0.00 -1.74 0.00 0.00 68.15 69.38 1f4x h THR 191 CO 0.00 0.79 -0.81 0.86 0.37 0.00 0.00 175.52 176.73 1f4x s TRP 192 N -2.54 1.22 -0.98 3.16 -0.00 -1.24 0.14 118.94 118.70 1f4x s TRP 192 Ca -0.14 -0.30 0.08 0.00 -0.00 0.00 0.00 56.10 55.73 1f4x s TRP 192 Cb 0.04 -0.83 0.37 0.00 -0.00 0.00 0.00 33.47 33.05 1f4x s TRP 192 CO 0.86 -0.10 1.13 -0.35 -0.00 0.00 0.00 176.95 178.49 1f4x n PRO 193 N 3.13 2.59 -0.10 5.86 -0.04 -1.26 -4.79 135.00 140.39 1f4x n PRO 193 Ca -0.17 -1.43 -0.06 0.00 -0.04 0.00 0.00 63.50 61.79 1f4x n PRO 193 Cb 0.54 -1.72 0.01 0.00 -0.04 0.00 0.00 33.50 32.29 1f4x n PRO 193 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1f4x h SER 194 N 1.93 0.16 -2.15 3.54 0.02 -1.81 -3.43 113.55 111.81 1f4x h SER 194 Ca 0.00 0.03 -0.47 0.00 -0.84 0.00 0.00 61.79 60.51 1f4x h SER 194 Cb 1.02 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1f4x h SER 194 CO 0.18 0.13 -0.45 -1.61 -1.14 0.00 0.00 176.83 173.94 1f4x s GLU 195 N -6.16 3.27 0.12 3.45 8.01 0.37 -5.10 118.70 122.66 1f4x s GLU 195 Ca -0.13 -0.87 -0.25 0.00 0.01 0.00 0.00 54.97 53.73 1f4x s GLU 195 Cb 0.12 -2.79 -0.07 0.00 -4.31 0.00 0.00 34.13 27.07 1f4x s GLU 195 CO 0.71 0.39 0.76 0.99 0.01 0.00 0.00 175.26 178.12 1f4x s THR 196 N -2.04 4.50 -0.09 3.63 2.01 -1.26 -4.61 115.64 117.77 1f4x s THR 196 Ca 0.35 1.65 -0.00 0.00 0.31 0.00 0.00 61.69 64.00 1f4x s THR 196 Cb -0.09 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.33 1f4x s THR 196 CO 0.28 0.48 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.94 1f4x s VAL 197 N -0.83 0.85 -0.02 3.82 1.01 -1.26 -4.98 120.40 119.00 1f4x s VAL 197 Ca 0.36 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.18 1f4x s VAL 197 Cb -0.22 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1f4x s VAL 197 CO 0.25 0.33 -0.17 -0.89 0.00 0.00 0.00 175.10 174.62 1f4x s THR 198 N 1.55 1.33 -0.07 3.92 2.01 -1.26 -1.55 115.64 121.57 1f4x s THR 198 Ca 0.01 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.19 1f4x s THR 198 Cb -0.13 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 1f4x s THR 198 CO -0.05 0.38 0.26 0.00 -0.69 0.00 0.00 174.62 174.52 1f4x s ASN 200 N -0.97 4.24 -0.20 0.00 -0.87 0.02 -0.40 114.94 116.76 1f4x s ASN 200 Ca 0.19 -0.84 -0.04 0.00 -1.57 0.00 0.00 52.86 50.59 1f4x s ASN 200 Cb -0.14 -1.65 -0.02 0.00 -0.02 0.00 0.00 41.25 39.42 1f4x s ASN 200 CO 0.08 -0.11 -0.02 -0.69 -2.57 0.00 0.00 177.10 173.79 1f4x s VAL 201 N 1.33 3.78 -0.09 1.60 1.01 0.02 -1.32 120.40 126.72 1f4x s VAL 201 Ca 0.01 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1f4x s VAL 201 Cb -0.16 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1f4x s VAL 201 CO -0.05 0.44 -0.12 0.00 0.00 0.00 0.00 175.10 175.37 1f4x s ALA 202 N 1.01 2.72 -0.39 5.51 0.00 -0.23 -0.46 121.76 129.92 1f4x s ALA 202 Ca 0.01 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1f4x s ALA 202 Cb -0.14 -1.15 0.11 0.00 0.00 0.00 0.00 23.12 21.94 1f4x s ALA 202 CO 0.01 0.41 0.13 -1.58 0.00 0.00 0.00 175.76 174.73 1f4x s HIS 203 N -0.22 2.94 0.28 0.00 2.46 -0.41 -1.37 115.29 118.97 1f4x s HIS 203 Ca 0.01 -2.69 0.01 0.00 0.47 0.00 0.00 55.06 52.86 1f4x s HIS 203 Cb -0.13 -2.49 0.42 0.00 -0.13 0.00 0.00 32.58 30.25 1f4x s HIS 203 CO 0.03 -0.87 1.78 -1.00 -2.47 0.00 0.00 174.74 172.22 1f4x h PRO 204 N 7.35 0.65 0.00 2.88 0.13 -1.82 -1.69 132.00 139.50 1f4x h PRO 204 Ca -0.06 -0.18 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 1f4x h PRO 204 Cb 0.98 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1f4x h PRO 204 CO 0.54 0.71 -0.14 0.00 -0.23 0.00 0.00 178.00 178.88 1f4x h ALA 205 N 1.33 1.48 -0.14 -0.56 0.00 -1.91 -2.54 119.26 116.93 1f4x h ALA 205 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1f4x h ALA 205 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1f4x h ALA 205 CO 0.02 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 1f4x n SER 206 N -3.95 2.56 -3.67 0.00 3.41 -1.02 -4.97 113.62 105.98 1f4x n SER 206 Ca -0.02 -1.74 -0.23 0.00 -0.26 0.00 0.00 58.87 56.62 1f4x n SER 206 Cb 0.23 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1f4x n SER 206 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1f4x n SER 207 N 0.90 -2.22 -4.34 4.04 7.64 -0.69 -4.96 113.62 114.00 1f4x n SER 207 Ca 0.11 -0.85 -0.23 0.00 1.01 0.00 0.00 58.87 58.91 1f4x n SER 207 Cb 0.42 -3.99 -0.11 0.00 -1.01 0.00 0.00 64.21 59.52 1f4x n SER 207 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1f4x s THR 208 N -3.63 1.88 -0.05 0.44 -1.32 -0.87 -5.01 115.64 107.09 1f4x s THR 208 Ca 0.11 -1.89 -0.03 0.00 -1.21 0.00 0.00 61.69 58.68 1f4x s THR 208 Cb -0.03 -1.85 0.02 0.00 -1.51 0.00 0.00 72.50 69.13 1f4x s THR 208 CO 0.82 -0.25 0.11 -1.59 -2.21 0.00 0.00 174.62 171.50 1f4x s LYS 209 N -2.66 0.10 -0.05 7.08 0.00 -1.26 -1.28 119.74 121.66 1f4x s LYS 209 Ca 0.15 0.23 0.04 0.00 0.00 0.00 0.00 55.97 56.39 1f4x s LYS 209 Cb -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.71 1f4x s LYS 209 CO 0.07 -0.08 -0.16 0.08 0.00 0.00 0.00 175.35 175.25 1f4x s VAL 210 N 0.54 1.37 -0.21 1.79 1.01 0.39 -4.98 120.40 120.32 1f4x s VAL 210 Ca -0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1f4x s VAL 210 Cb -0.06 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1f4x s VAL 210 CO -0.02 0.40 -0.12 -1.81 0.00 0.00 0.00 175.10 173.55 1f4x s ASP 211 N 0.17 3.77 -0.18 3.32 1.01 -1.26 -0.80 116.67 122.71 1f4x s ASP 211 Ca -0.06 -0.63 -0.01 0.00 0.71 0.00 0.00 52.55 52.55 1f4x s ASP 211 Cb -0.12 -1.60 0.00 0.00 1.01 0.00 0.00 42.92 42.21 1f4x s ASP 211 CO 0.03 -0.04 -0.13 -0.75 0.21 0.00 0.00 175.17 174.49 1f4x s LYS 212 N 1.35 3.22 -0.04 8.23 2.47 0.46 -4.95 119.74 130.48 1f4x s LYS 212 Ca 0.04 -0.73 -0.30 0.00 -1.56 0.00 0.00 55.97 53.42 1f4x s LYS 212 Cb -0.14 -2.71 -0.02 0.00 -1.46 0.00 0.00 37.83 33.49 1f4x s LYS 212 CO -0.08 -0.07 1.01 0.21 0.16 0.00 0.00 175.35 176.58 1f4x s LYS 213 N 1.06 4.49 -0.35 4.03 2.36 -1.26 -0.77 119.74 129.29 1f4x s LYS 213 Ca -0.01 1.43 -0.14 0.00 -2.55 0.00 0.00 55.97 54.70 1f4x s LYS 213 Cb -0.15 -3.49 -0.01 0.00 -1.05 0.00 0.00 37.83 33.13 1f4x s LYS 213 CO -0.03 -0.19 0.31 0.42 1.55 0.00 0.00 175.35 177.41 1f4x s ILE 214 N 1.49 5.22 0.09 5.43 -1.09 -0.59 -4.94 121.20 126.80 1f4x s ILE 214 Ca 0.51 -0.15 0.08 0.00 -2.23 0.00 0.00 60.65 58.85 1f4x s ILE 214 Cb -0.20 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 1f4x s ILE 214 CO 0.24 -0.10 -0.16 0.68 -1.23 0.00 0.00 174.94 174.37 1f4x s VAL 215 N 1.87 2.98 -1.03 2.92 -7.23 -1.26 -4.64 120.40 114.02 1f4x s VAL 215 Ca 0.09 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1f4x s VAL 215 Cb -0.17 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1f4x s VAL 215 CO 0.11 0.18 0.26 -2.65 -0.31 0.00 0.00 175.10 172.69