#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f5x h GLU 2 N 0.00 0.00 -0.24 2.12 3.07 -2.06 -2.63 114.58 114.84 3f5x h GLU 2 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3f5x h GLU 2 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3f5x h GLU 2 CO 0.00 0.37 0.00 0.09 -1.40 0.00 0.00 179.01 178.07 3f5x n ASN 3 N -3.67 1.63 -4.38 1.42 3.02 -1.26 -4.84 115.26 107.19 3f5x n ASN 3 Ca -0.01 -1.85 -0.33 0.00 -0.03 0.00 0.00 54.58 52.36 3f5x n ASN 3 Cb 0.47 -0.16 -0.14 0.00 -0.61 0.00 0.00 39.78 39.34 3f5x n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3f5x s PHE 4 N -1.68 2.85 -0.28 3.10 0.08 -0.99 -1.01 117.98 120.06 3f5x s PHE 4 Ca 0.26 -0.64 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 3f5x s PHE 4 Cb 0.14 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 3f5x s PHE 4 CO 0.20 -0.23 0.18 -1.14 -0.10 0.00 0.00 175.22 174.13 3f5x s GLN 5 N 0.47 3.93 -0.08 0.44 2.00 -0.28 -4.94 119.66 121.20 3f5x s GLN 5 Ca -0.08 -0.33 -0.30 0.00 -2.00 0.00 0.00 55.36 52.65 3f5x s GLN 5 Cb -0.15 -3.63 -0.04 0.00 0.80 0.00 0.00 33.01 29.98 3f5x s GLN 5 CO 0.04 -0.17 1.50 0.21 -0.50 0.00 0.00 175.29 176.37 3f5x s LYS 6 N 1.72 4.21 -0.18 1.67 2.20 -1.26 -1.29 119.74 126.81 3f5x s LYS 6 Ca 0.07 2.00 -0.15 0.00 -0.36 0.00 0.00 55.97 57.53 3f5x s LYS 6 Cb -0.16 -3.85 -0.10 0.00 -1.51 0.00 0.00 37.83 32.21 3f5x s LYS 6 CO 0.10 -0.76 -0.08 0.28 -0.36 0.00 0.00 175.35 174.53 3f5x n VAL 7 N 5.32 1.48 -3.53 4.02 0.31 0.17 -4.98 118.33 121.12 3f5x n VAL 7 Ca 0.16 0.07 -0.10 0.00 -0.01 0.00 0.00 64.34 64.45 3f5x n VAL 7 Cb 0.43 -2.22 -0.04 0.00 -0.91 0.00 0.00 33.84 31.11 3f5x n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3f5x s GLU 8 N -2.38 0.78 0.08 5.55 -1.05 -1.10 -5.00 118.70 115.59 3f5x s GLU 8 Ca -0.23 -0.07 -0.31 0.00 -0.15 0.00 0.00 54.97 54.21 3f5x s GLU 8 Cb 0.05 0.36 -0.07 0.00 -0.44 0.00 0.00 34.13 34.03 3f5x s GLU 8 CO 0.39 -0.30 1.39 0.21 0.95 0.00 0.00 175.26 177.91 3f5x s LYS 9 N -2.15 4.31 0.00 -4.83 2.20 -1.26 -0.12 119.74 117.90 3f5x s LYS 9 Ca 0.00 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 3f5x s LYS 9 Cb -0.01 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 3f5x s LYS 9 CO -0.03 -0.47 0.51 0.44 -0.36 0.00 0.00 175.35 175.44 3f5x n ILE 10 N 4.14 0.09 -3.65 5.43 -5.35 -0.03 -4.87 119.36 115.12 3f5x n ILE 10 Ca 0.12 -0.51 -0.04 0.00 -0.27 0.00 0.00 62.75 62.05 3f5x n ILE 10 Cb 0.43 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 39.28 3f5x n ILE 10 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3f5x s GLY 11 N -0.09 0.20 0.07 3.28 0.00 -0.99 -4.96 107.32 104.84 3f5x s GLY 11 Ca 0.00 3.26 0.10 0.00 0.00 0.00 0.00 44.72 48.08 3f5x s GLY 11 CO 0.00 2.00 -0.26 1.85 0.00 0.00 0.00 173.10 176.69 3f5x s GLU 12 N 0.23 1.64 0.00 2.90 2.56 -1.26 0.16 118.70 124.94 3f5x s GLU 12 Ca 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 54.97 53.82 3f5x s GLU 12 Cb -0.05 -1.93 0.00 0.00 2.00 0.00 0.00 34.13 34.15 3f5x s GLU 12 CO -0.12 0.49 0.00 0.41 -0.56 0.00 0.00 175.26 175.47 3f5x n GLY 13 N 1.47 4.64 0.10 -1.50 0.00 -0.12 -4.93 105.19 104.85 3f5x n GLY 13 Ca -0.17 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 3f5x n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5x h THR 14 N 0.38 1.09 0.00 2.61 1.03 -2.00 -3.38 112.91 112.63 3f5x h THR 14 Ca 0.00 -2.22 0.00 0.00 -0.01 0.00 0.00 66.41 64.18 3f5x h THR 14 Cb 0.00 2.46 0.00 0.00 -1.07 0.00 0.00 68.15 69.54 3f5x h THR 14 CO 0.00 0.38 -0.61 -1.22 -0.01 0.00 0.00 175.52 174.06 3f5x n TYR 15 N -4.45 0.19 -3.50 0.00 4.01 -1.26 -5.03 117.16 107.12 3f5x n TYR 15 Ca -0.28 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 3f5x n TYR 15 Cb 0.65 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3f5x n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f5x n GLY 16 N 1.44 -1.23 3.93 2.72 0.00 -1.25 -3.54 105.19 107.25 3f5x n GLY 16 Ca 0.04 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 3f5x n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f5x s VAL 17 N -3.00 5.06 -0.15 1.61 1.01 -1.16 -0.94 120.40 122.83 3f5x s VAL 17 Ca 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 3f5x s VAL 17 Cb 0.00 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3f5x s VAL 17 CO 0.00 -0.28 -0.14 -0.69 0.00 0.00 0.00 175.10 173.99 3f5x s VAL 18 N -1.96 2.85 0.03 2.92 1.01 0.12 -0.52 120.40 124.86 3f5x s VAL 18 Ca 0.34 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3f5x s VAL 18 Cb -0.09 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3f5x s VAL 18 CO 0.28 0.51 -0.08 -0.31 0.00 0.00 0.00 175.10 175.50 3f5x s TYR 19 N 0.74 2.83 0.11 5.22 1.51 0.34 -0.85 117.35 127.25 3f5x s TYR 19 Ca -0.06 -0.08 -0.30 0.00 -1.01 0.00 0.00 57.07 55.62 3f5x s TYR 19 Cb -0.15 -1.56 -0.06 0.00 -0.11 0.00 0.00 41.96 40.08 3f5x s TYR 19 CO 0.01 0.37 1.05 0.21 -1.11 0.00 0.00 175.55 176.08 3f5x s LYS 20 N -1.62 4.60 0.13 -0.62 2.20 0.83 -0.39 119.74 124.87 3f5x s LYS 20 Ca 0.18 1.58 -0.03 0.00 -0.36 0.00 0.00 55.97 57.34 3f5x s LYS 20 Cb -0.11 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 3f5x s LYS 20 CO 0.09 0.05 0.11 0.00 -0.36 0.00 0.00 175.35 175.24 3f5x s ALA 21 N 0.26 0.58 -0.08 3.13 0.00 0.90 -0.65 121.76 125.90 3f5x s ALA 21 Ca 0.50 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3f5x s ALA 21 Cb -0.26 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.69 3f5x s ALA 21 CO 0.31 -0.52 -0.11 0.50 0.00 0.00 0.00 175.76 175.93 3f5x s ARG 22 N -4.01 1.68 -0.16 0.00 3.52 -0.41 0.15 118.95 119.72 3f5x s ARG 22 Ca 0.20 -0.39 -0.29 0.00 -0.13 0.00 0.00 55.73 55.12 3f5x s ARG 22 Cb 0.06 -1.45 -0.03 0.00 -1.56 0.00 0.00 34.95 31.97 3f5x s ARG 22 CO 0.00 -0.03 1.57 1.21 -0.81 0.00 0.00 175.30 177.24 3f5x s ASN 23 N 0.86 6.57 0.45 -2.12 3.84 0.49 -1.13 114.94 123.90 3f5x s ASN 23 Ca -0.11 1.82 0.24 0.00 0.21 0.00 0.00 52.86 55.02 3f5x s ASN 23 Cb -0.15 -2.53 0.98 0.00 -0.55 0.00 0.00 41.25 38.99 3f5x s ASN 23 CO 0.01 -1.07 1.86 0.11 -2.79 0.00 0.00 177.10 175.22 3f5x h LYS 24 N 9.92 0.00 0.09 0.43 1.57 -1.41 0.24 116.57 127.41 3f5x h LYS 24 Ca -0.34 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.10 3f5x h LYS 24 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3f5x h LYS 24 CO 0.98 0.23 -1.83 -0.07 -0.57 0.00 0.00 179.45 178.19 3f5x h LEU 25 N 0.00 0.30 0.00 2.94 3.38 -1.91 -3.40 115.31 116.62 3f5x h LEU 25 Ca -0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3f5x h LEU 25 Cb 0.69 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3f5x h LEU 25 CO 0.03 1.54 -1.57 0.35 0.09 0.00 0.00 178.44 178.88 3f5x n THR 26 N -3.35 0.00 -0.85 0.22 -2.24 -1.22 -5.01 114.28 101.83 3f5x n THR 26 Ca -0.25 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3f5x n THR 26 Cb 1.05 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3f5x n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f5x n GLY 27 N 1.67 1.20 3.69 3.38 0.00 0.84 -5.01 105.19 110.95 3f5x n GLY 27 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3f5x n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3f5x s GLU 28 N -0.04 4.16 0.01 1.61 2.12 -1.25 -4.64 118.70 120.67 3f5x s GLU 28 Ca 0.00 2.51 -0.26 0.00 0.36 0.00 0.00 54.97 57.58 3f5x s GLU 28 Cb 0.00 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 3f5x s GLU 28 CO 0.00 -0.80 0.79 0.08 -0.54 0.00 0.00 175.26 174.79 3f5x s VAL 29 N 2.61 4.83 0.12 3.70 1.01 -1.26 -0.38 120.40 131.03 3f5x s VAL 29 Ca 0.78 1.67 0.01 0.00 0.00 0.00 0.00 61.98 64.44 3f5x s VAL 29 Cb -0.44 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 3f5x s VAL 29 CO 0.35 0.30 -0.01 0.68 0.00 0.00 0.00 175.10 176.41 3f5x s VAL 30 N 0.34 0.50 -0.23 2.92 -7.23 0.12 -4.06 120.40 112.77 3f5x s VAL 30 Ca 0.41 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 58.57 3f5x s VAL 30 Cb -0.20 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 3f5x s VAL 30 CO 0.23 -0.68 0.10 0.00 -0.31 0.00 0.00 175.10 174.44 3f5x s ALA 31 N -3.76 3.38 -0.27 1.32 0.00 -0.60 -0.07 121.76 121.77 3f5x s ALA 31 Ca 0.18 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 3f5x s ALA 31 Cb 0.06 -2.12 -0.00 0.00 0.00 0.00 0.00 23.12 21.06 3f5x s ALA 31 CO -0.01 -0.19 0.05 -0.51 0.00 0.00 0.00 175.76 175.10 3f5x s LEU 32 N 1.06 3.53 -0.42 0.00 1.43 0.47 -0.44 118.68 124.32 3f5x s LEU 32 Ca 0.05 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 52.45 3f5x s LEU 32 Cb -0.14 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.24 3f5x s LEU 32 CO 0.04 -0.11 0.50 -0.75 0.23 0.00 0.00 176.35 176.25 3f5x s LYS 33 N 1.52 3.20 -0.02 1.70 2.20 0.25 -0.50 119.74 128.09 3f5x s LYS 33 Ca 0.04 -0.59 -0.23 0.00 -0.36 0.00 0.00 55.97 54.83 3f5x s LYS 33 Cb -0.16 -3.95 -0.05 0.00 -1.51 0.00 0.00 37.83 32.17 3f5x s LYS 33 CO 0.01 -0.87 0.69 0.21 -0.36 0.00 0.00 175.35 175.03 3f5x s LYS 34 N 2.35 4.42 -0.21 4.03 2.20 0.32 -1.29 119.74 131.56 3f5x s LYS 34 Ca 0.16 0.88 0.02 0.00 -0.36 0.00 0.00 55.97 56.67 3f5x s LYS 34 Cb -0.16 -3.40 0.04 0.00 -1.51 0.00 0.00 37.83 32.81 3f5x s LYS 34 CO 0.15 0.20 -0.12 0.42 -0.36 0.00 0.00 175.35 175.64 3f5x s ILE 35 N 0.31 1.89 0.12 5.43 1.01 0.10 -3.00 121.20 127.06 3f5x s ILE 35 Ca 0.36 -1.20 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 3f5x s ILE 35 Cb -0.19 -1.93 -0.07 0.00 0.01 0.00 0.00 42.46 40.29 3f5x s ILE 35 CO 0.19 0.18 1.15 -0.60 0.00 0.00 0.00 174.94 175.87 3f5x s ARG 36 N 1.28 4.50 -0.40 2.79 6.06 -1.23 -1.30 118.95 130.64 3f5x s ARG 36 Ca -0.02 1.75 -0.12 0.00 -2.50 0.00 0.00 55.73 54.84 3f5x s ARG 36 Cb -0.17 -3.31 0.04 0.00 0.06 0.00 0.00 34.95 31.57 3f5x s ARG 36 CO -0.08 -0.11 0.26 -0.51 -2.50 0.00 0.00 175.30 172.36 3f5x s LEU 37 N 0.37 5.01 -0.54 -0.88 1.43 -0.85 -4.95 118.68 118.26 3f5x s LEU 37 Ca 0.54 -1.11 -0.27 0.00 -1.03 0.00 0.00 54.13 52.26 3f5x s LEU 37 Cb -0.30 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 3f5x s LEU 37 CO 0.32 -0.46 1.67 -1.81 0.23 0.00 0.00 176.35 176.30 3f5x s ASP 38 N 1.82 5.73 -0.07 2.29 1.01 -1.26 -4.85 116.67 121.34 3f5x s ASP 38 Ca 0.03 0.48 0.16 0.00 0.71 0.00 0.00 52.55 53.93 3f5x s ASP 38 Cb -0.21 -2.54 0.59 0.00 1.01 0.00 0.00 42.92 41.77 3f5x s ASP 38 CO 0.07 -1.98 1.47 0.41 0.21 0.00 0.00 175.17 175.35 3f5x n THR 39 N 7.09 1.33 -0.12 -1.27 -1.04 -1.26 -2.69 114.28 116.33 3f5x n THR 39 Ca 0.17 -0.93 -0.16 0.00 -2.04 0.00 0.00 64.05 61.09 3f5x n THR 39 Cb 0.50 0.15 -0.11 0.00 -1.82 0.00 0.00 70.33 69.05 3f5x n THR 39 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3f5x n GLU 40 N 1.01 0.59 -0.11 -2.82 4.07 -1.26 -4.92 120.64 117.19 3f5x n GLU 40 Ca 0.21 0.14 -0.19 0.00 -0.06 0.00 0.00 57.16 57.26 3f5x n GLU 40 Cb 0.70 -1.47 -0.09 0.00 -0.06 0.00 0.00 31.44 30.51 3f5x n GLU 40 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3f5x n THR 41 N -3.19 1.25 0.00 6.31 -2.24 -1.24 -4.94 114.28 110.23 3f5x n THR 41 Ca -0.42 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 3f5x n THR 41 Cb 0.94 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 3f5x n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3f5x n GLU 42 N -3.47 0.84 0.00 -0.78 -0.58 -1.21 -5.15 120.64 110.30 3f5x n GLU 42 Ca -0.41 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.33 3f5x n GLU 42 Cb 0.87 -0.65 0.00 0.00 -0.57 0.00 0.00 31.44 31.09 3f5x n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f5x n GLY 43 N 1.54 -0.51 3.65 0.62 0.00 -1.09 -4.78 105.19 104.61 3f5x n GLY 43 Ca 0.00 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 3f5x n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f5x s VAL 44 N 0.00 3.93 0.47 1.61 1.01 -1.26 -4.69 120.40 121.47 3f5x s VAL 44 Ca 0.00 1.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.86 3f5x s VAL 44 Cb 0.00 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 3f5x s VAL 44 CO 0.00 -0.19 1.07 -2.65 0.00 0.00 0.00 175.10 173.33 3f5x n PRO 45 N 7.07 1.39 0.01 2.72 -0.02 -1.26 -4.83 135.00 140.08 3f5x n PRO 45 Ca 0.16 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 3f5x n PRO 45 Cb 0.45 -2.17 0.56 0.00 -0.02 0.00 0.00 33.50 32.32 3f5x n PRO 45 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3f5x h SER 46 N 1.41 0.23 -0.37 2.55 0.02 -1.96 -2.01 113.55 113.41 3f5x h SER 46 Ca -0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 3f5x h SER 46 Cb 1.33 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 3f5x h SER 46 CO 0.56 0.14 0.16 0.74 -1.14 0.00 0.00 176.83 177.30 3f5x h THR 47 N 0.26 1.18 -0.22 -2.27 2.02 -1.91 -1.33 112.91 110.65 3f5x h THR 47 Ca 0.20 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 3f5x h THR 47 Cb 0.48 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3f5x h THR 47 CO -0.04 0.19 0.03 0.00 0.37 0.00 0.00 175.52 176.08 3f5x h ALA 48 N 1.01 0.29 -0.54 6.16 0.00 -1.73 -0.61 119.26 123.84 3f5x h ALA 48 Ca 0.13 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3f5x h ALA 48 Cb 0.15 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3f5x h ALA 48 CO -0.01 -0.04 0.19 0.82 0.00 0.00 0.00 179.25 180.21 3f5x h ILE 49 N 0.16 0.80 -0.10 0.00 2.04 -1.27 0.30 117.51 119.44 3f5x h ILE 49 Ca 0.07 -0.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.66 3f5x h ILE 49 Cb 0.32 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3f5x h ILE 49 CO 0.00 0.07 -0.47 0.03 0.00 0.00 0.00 178.15 177.78 3f5x h ARG 50 N 0.36 0.50 -0.17 2.37 3.08 -1.21 -2.32 114.38 116.99 3f5x h ARG 50 Ca 0.26 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3f5x h ARG 50 Cb 0.30 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3f5x h ARG 50 CO -0.27 1.03 0.10 1.49 -1.07 0.00 0.00 179.97 181.25 3f5x h GLU 51 N 0.08 0.23 0.57 0.04 4.81 -0.83 -0.21 114.58 119.27 3f5x h GLU 51 Ca -0.03 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3f5x h GLU 51 Cb 1.12 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.46 3f5x h GLU 51 CO 0.10 0.19 -0.27 0.82 -0.73 0.00 0.00 179.01 179.12 3f5x h ILE 52 N 0.20 0.33 -0.48 2.32 2.04 -0.50 -1.83 117.51 119.59 3f5x h ILE 52 Ca 0.06 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3f5x h ILE 52 Cb 0.03 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3f5x h ILE 52 CO -0.01 0.04 0.20 0.77 0.00 0.00 0.00 178.15 179.15 3f5x h SER 53 N -0.99 0.61 0.38 1.72 4.64 -1.40 -2.06 113.55 116.45 3f5x h SER 53 Ca -0.08 -0.06 -0.32 0.00 -0.47 0.00 0.00 61.79 60.86 3f5x h SER 53 Cb 0.65 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3f5x h SER 53 CO 0.13 0.55 -1.51 -0.07 -0.87 0.00 0.00 176.83 175.05 3f5x h LEU 54 N 0.67 0.58 -0.48 5.97 3.38 -1.11 -3.36 115.31 120.97 3f5x h LEU 54 Ca 0.17 -0.72 -0.16 0.00 0.09 0.00 0.00 57.88 57.25 3f5x h LEU 54 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3f5x h LEU 54 CO -0.02 1.58 -0.50 0.25 0.09 0.00 0.00 178.44 179.84 3f5x h LEU 55 N 0.10 0.75 -0.31 1.67 5.85 -1.09 -2.56 115.31 119.72 3f5x h LEU 55 Ca -0.25 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3f5x h LEU 55 Cb 2.07 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.89 3f5x h LEU 55 CO 0.21 1.12 0.00 2.29 -0.34 0.00 0.00 178.44 181.72 3f5x n LYS 56 N -3.99 0.06 0.00 1.25 2.85 -0.79 -0.09 118.16 117.44 3f5x n LYS 56 Ca -0.03 0.39 0.13 0.00 -1.05 0.00 0.00 58.31 57.75 3f5x n LYS 56 Cb 0.59 -1.63 0.42 0.00 -0.65 0.00 0.00 35.03 33.76 3f5x n LYS 56 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3f5x n GLU 57 N -1.75 0.68 -3.77 -1.58 1.02 -0.97 -4.73 120.64 109.55 3f5x n GLU 57 Ca 0.02 -0.36 -0.30 0.00 -0.02 0.00 0.00 57.16 56.50 3f5x n GLU 57 Cb 0.13 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.96 3f5x n GLU 57 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3f5x n LEU 58 N -0.84 3.48 -4.48 -4.62 4.77 0.87 -5.02 117.00 111.16 3f5x n LEU 58 Ca 0.12 -5.22 -0.43 0.00 -0.03 0.00 0.00 56.01 50.44 3f5x n LEU 58 Cb 0.33 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 3f5x n LEU 58 CO 0.26 1.74 0.24 0.21 -1.33 0.00 0.00 177.39 178.51 3f5x s ASN 59 N -1.25 6.24 -0.11 -1.43 3.84 -1.26 -4.89 114.94 116.08 3f5x s ASN 59 Ca 0.27 -0.63 -0.23 0.00 0.21 0.00 0.00 52.86 52.49 3f5x s ASN 59 Cb -0.03 -2.27 0.05 0.00 -0.55 0.00 0.00 41.25 38.46 3f5x s ASN 59 CO -0.14 -0.71 0.55 -2.28 -2.79 0.00 0.00 177.10 171.73 3f5x s HIS 60 N 2.45 -0.53 0.30 0.43 2.46 -1.26 -5.05 115.29 114.08 3f5x s HIS 60 Ca 0.16 1.08 0.37 0.00 0.47 0.00 0.00 55.06 57.14 3f5x s HIS 60 Cb -0.17 0.26 1.83 0.00 -0.13 0.00 0.00 32.58 34.37 3f5x s HIS 60 CO 0.15 -0.44 2.12 -1.00 -2.47 0.00 0.00 174.74 173.10 3f5x h PRO 61 N 4.08 0.00 -0.51 2.88 0.13 -1.99 -2.70 132.00 133.90 3f5x h PRO 61 Ca -0.28 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.74 3f5x h PRO 61 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 3f5x h PRO 61 CO 0.30 0.00 0.10 0.09 -0.23 0.00 0.00 178.00 178.26 3f5x n ASN 62 N -2.95 4.32 -3.89 1.44 5.03 -1.26 -4.84 115.26 113.11 3f5x n ASN 62 Ca -0.01 -3.20 -0.22 0.00 0.87 0.00 0.00 54.58 52.02 3f5x n ASN 62 Cb 0.17 -0.66 -0.17 0.00 -1.02 0.00 0.00 39.78 38.10 3f5x n ASN 62 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3f5x s ILE 63 N -2.95 0.67 0.13 2.41 1.01 -1.02 -1.28 121.20 120.17 3f5x s ILE 63 Ca 0.50 -0.15 -0.32 0.00 0.00 0.00 0.00 60.65 60.67 3f5x s ILE 63 Cb 0.40 -0.70 -0.11 0.00 0.01 0.00 0.00 42.46 42.06 3f5x s ILE 63 CO 0.10 0.27 1.79 0.52 0.00 0.00 0.00 174.94 177.63 3f5x n VAL 64 N 4.35 0.28 -2.40 2.92 0.31 -0.71 -4.51 118.33 118.57 3f5x n VAL 64 Ca -0.19 -0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 63.67 3f5x n VAL 64 Cb 0.51 -2.02 -0.03 0.00 -0.91 0.00 0.00 33.84 31.39 3f5x n VAL 64 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3f5x s LYS 65 N 2.36 4.41 -0.28 5.55 1.02 -1.26 -4.94 119.74 126.60 3f5x s LYS 65 Ca 0.81 1.78 -0.26 0.00 0.02 0.00 0.00 55.97 58.33 3f5x s LYS 65 Cb -0.52 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.42 3f5x s LYS 65 CO 0.37 -0.30 0.89 -1.17 -0.92 0.00 0.00 175.35 174.22 3f5x s LEU 66 N 1.24 4.06 -0.09 3.17 2.96 -1.26 -1.57 118.68 127.19 3f5x s LEU 66 Ca 0.59 0.96 0.07 0.00 -0.22 0.00 0.00 54.13 55.52 3f5x s LEU 66 Cb -0.29 -3.26 -0.24 0.00 0.50 0.00 0.00 46.19 42.90 3f5x s LEU 66 CO 0.28 -0.63 0.49 0.18 -1.32 0.00 0.00 176.35 175.35 3f5x n LEU 67 N 6.27 1.42 -3.51 -0.68 4.77 0.25 -4.95 117.00 120.56 3f5x n LEU 67 Ca 0.07 0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 56.25 3f5x n LEU 67 Cb 0.47 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3f5x n LEU 67 CO 0.51 0.56 0.65 -0.62 -1.33 0.00 0.00 177.39 177.16 3f5x s ASP 68 N -6.34 -0.41 -0.17 -1.43 2.15 -1.10 -5.00 116.67 104.36 3f5x s ASP 68 Ca -0.12 0.14 -0.00 0.00 0.43 0.00 0.00 52.55 53.00 3f5x s ASP 68 Cb 0.07 0.40 0.04 0.00 -0.30 0.00 0.00 42.92 43.14 3f5x s ASP 68 CO 0.80 -0.60 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.45 3f5x s VAL 69 N -2.64 1.20 -0.62 1.11 1.01 -1.26 -0.98 120.40 118.21 3f5x s VAL 69 Ca 0.02 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 3f5x s VAL 69 Cb -0.01 -1.36 0.16 0.00 0.00 0.00 0.00 36.38 35.17 3f5x s VAL 69 CO -0.06 0.12 0.56 -0.63 0.00 0.00 0.00 175.10 175.09 3f5x s ILE 70 N 1.59 5.10 -0.25 2.22 1.01 -0.66 -5.00 121.20 125.23 3f5x s ILE 70 Ca 0.00 -1.93 -0.06 0.00 0.00 0.00 0.00 60.65 58.66 3f5x s ILE 70 Cb -0.16 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.05 3f5x s ILE 70 CO -0.08 -0.91 0.04 -1.38 0.00 0.00 0.00 174.94 172.62 3f5x s HIS 71 N 1.02 3.06 0.00 3.97 -3.43 -1.26 -2.11 115.29 116.53 3f5x s HIS 71 Ca 0.09 -0.60 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 3f5x s HIS 71 Cb -0.23 -2.21 0.00 0.00 -1.43 0.00 0.00 32.58 28.72 3f5x s HIS 71 CO -0.02 -0.42 0.00 0.25 -2.00 0.00 0.00 174.74 172.55 3f5x n THR 72 N 4.89 0.00 0.00 -5.38 -2.24 -1.01 -5.07 114.28 105.47 3f5x n THR 72 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3f5x n THR 72 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3f5x n THR 72 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3f5x n GLU 73 N 0.00 0.00 -0.35 -0.78 0.28 -1.26 -4.31 120.64 114.22 3f5x n GLU 73 Ca 0.00 0.49 0.02 0.00 -0.16 0.00 0.00 57.16 57.51 3f5x n GLU 73 Cb 0.00 -0.87 0.03 0.00 1.43 0.00 0.00 31.44 32.03 3f5x n GLU 73 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3f5x n ASN 74 N -1.37 0.54 -3.92 -1.84 3.02 -1.26 -5.04 115.26 105.38 3f5x n ASN 74 Ca 0.00 -2.12 -0.12 0.00 -0.03 0.00 0.00 54.58 52.31 3f5x n ASN 74 Cb 0.00 -0.22 -0.13 0.00 -0.61 0.00 0.00 39.78 38.82 3f5x n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3f5x s LYS 75 N -0.61 0.16 -0.13 3.52 1.02 -1.26 -2.02 119.74 120.43 3f5x s LYS 75 Ca 0.06 -0.21 0.01 0.00 0.02 0.00 0.00 55.97 55.85 3f5x s LYS 75 Cb 0.06 -0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.34 3f5x s LYS 75 CO 0.01 0.01 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.14 3f5x s LEU 76 N -0.45 1.58 -0.11 3.17 0.20 -0.42 -2.42 118.68 120.24 3f5x s LEU 76 Ca -0.04 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.37 3f5x s LEU 76 Cb -0.03 -1.06 -0.02 0.00 -0.43 0.00 0.00 46.19 44.65 3f5x s LEU 76 CO -0.00 -0.05 -0.13 -0.31 -0.29 0.00 0.00 176.35 175.57 3f5x s TYR 77 N 1.36 2.79 -0.18 5.38 1.51 -0.90 0.02 117.35 127.33 3f5x s TYR 77 Ca 0.01 -0.49 -0.07 0.00 -1.01 0.00 0.00 57.07 55.51 3f5x s TYR 77 Cb -0.13 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 3f5x s TYR 77 CO -0.07 -0.09 0.05 -0.51 -1.11 0.00 0.00 175.55 173.83 3f5x s LEU 78 N 0.03 3.72 -0.24 -1.29 1.43 -0.41 -1.65 118.68 120.27 3f5x s LEU 78 Ca -0.04 0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.01 3f5x s LEU 78 Cb -0.14 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3f5x s LEU 78 CO 0.04 0.16 0.09 -0.69 0.23 0.00 0.00 176.35 176.17 3f5x s VAL 79 N 0.47 4.59 0.25 -1.59 1.01 -0.15 -0.58 120.40 124.39 3f5x s VAL 79 Ca 0.02 -0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.03 3f5x s VAL 79 Cb -0.13 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3f5x s VAL 79 CO 0.01 0.36 -0.20 -0.36 0.00 0.00 0.00 175.10 174.90 3f5x s PHE 80 N 1.29 2.22 0.60 5.22 0.40 0.41 0.85 117.98 128.98 3f5x s PHE 80 Ca 0.05 -0.36 -0.20 0.00 -0.60 0.00 0.00 56.93 55.82 3f5x s PHE 80 Cb -0.15 -1.01 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 3f5x s PHE 80 CO 0.04 0.62 1.32 -0.85 0.70 0.00 0.00 175.22 177.05 3f5x n GLU 81 N -0.34 1.40 -3.54 0.44 0.28 -0.61 -1.55 120.64 116.73 3f5x n GLU 81 Ca -0.08 0.53 -0.36 0.00 -0.16 0.00 0.00 57.16 57.09 3f5x n GLU 81 Cb 0.59 -2.55 -0.07 0.00 1.43 0.00 0.00 31.44 30.84 3f5x n GLU 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3f5x s PHE 82 N -1.34 3.45 0.47 -1.84 2.19 -1.26 -4.37 117.98 115.30 3f5x s PHE 82 Ca 0.77 0.58 0.05 0.00 0.33 0.00 0.00 56.93 58.66 3f5x s PHE 82 Cb -0.40 -2.34 -0.02 0.00 -1.31 0.00 0.00 43.02 38.95 3f5x s PHE 82 CO 0.45 0.23 0.18 -0.51 1.83 0.00 0.00 175.22 177.39 3f5x s LEU 83 N 0.51 2.76 -0.19 6.12 1.02 -1.26 -5.00 118.68 122.63 3f5x s LEU 83 Ca 0.16 -1.31 0.09 0.00 0.02 0.00 0.00 54.13 53.09 3f5x s LEU 83 Cb -0.13 -1.13 -0.22 0.00 0.02 0.00 0.00 46.19 44.73 3f5x s LEU 83 CO 0.04 -0.77 0.07 1.41 0.02 0.00 0.00 176.35 177.12 3f5x n HIS 84 N -1.36 0.26 -3.78 0.29 8.25 -0.34 -5.00 115.22 113.54 3f5x n HIS 84 Ca -0.07 0.07 -0.04 0.00 -0.26 0.00 0.00 57.72 57.43 3f5x n HIS 84 Cb 0.65 -1.04 -0.01 0.00 1.12 0.00 0.00 29.99 30.71 3f5x n HIS 84 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3f5x s GLN 85 N -2.52 1.27 0.51 -0.41 -2.07 -1.06 -5.02 119.66 110.36 3f5x s GLN 85 Ca -0.19 -0.72 -0.02 0.00 -1.82 0.00 0.00 55.36 52.61 3f5x s GLN 85 Cb 0.07 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 3f5x s GLN 85 CO 0.74 -0.58 0.76 0.16 -1.32 0.00 0.00 175.29 175.05 3f5x s ASP 86 N -3.01 5.69 0.38 12.60 1.47 -1.26 -0.34 116.67 132.19 3f5x s ASP 86 Ca 0.14 0.40 0.15 0.00 1.18 0.00 0.00 52.55 54.42 3f5x s ASP 86 Cb -0.02 -1.52 0.74 0.00 -0.34 0.00 0.00 42.92 41.78 3f5x s ASP 86 CO 0.03 -0.87 1.80 0.25 0.68 0.00 0.00 175.17 177.06 3f5x h LEU 87 N 0.17 0.00 0.15 2.11 6.46 -0.22 -2.80 115.31 121.19 3f5x h LEU 87 Ca -0.45 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.30 3f5x h LEU 87 Cb 1.26 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 3f5x h LEU 87 CO 0.58 0.38 -0.07 0.50 -0.62 0.00 0.00 178.44 179.20 3f5x h LYS 88 N 0.00 -0.20 -0.45 1.25 3.64 -1.79 0.43 116.57 119.44 3f5x h LYS 88 Ca -0.00 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 3f5x h LYS 88 Cb 0.74 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 3f5x h LYS 88 CO 0.05 0.01 0.04 0.87 -2.27 0.00 0.00 179.45 178.15 3f5x h LYS 89 N -0.38 0.72 -0.64 1.90 1.57 -1.88 -1.09 116.57 116.76 3f5x h LYS 89 Ca -0.02 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 3f5x h LYS 89 Cb 0.30 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3f5x h LYS 89 CO 0.03 0.70 0.22 0.35 -0.57 0.00 0.00 179.45 180.19 3f5x h PHE 90 N 0.68 1.01 -0.35 -1.35 3.57 -1.35 -0.18 116.94 118.98 3f5x h PHE 90 Ca 0.14 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3f5x h PHE 90 Cb 0.36 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3f5x h PHE 90 CO 0.02 0.81 0.21 0.52 -2.23 0.00 0.00 178.31 177.64 3f5x h MET 91 N 0.91 0.47 -0.77 1.11 2.86 -0.52 -1.87 114.93 117.12 3f5x h MET 91 Ca 0.21 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3f5x h MET 91 Cb 0.26 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 3f5x h MET 91 CO -0.01 0.35 0.51 -0.44 1.06 0.00 0.00 176.91 178.38 3f5x h ASP 92 N 0.45 0.88 0.44 1.22 3.32 -0.97 -2.19 116.42 119.57 3f5x h ASP 92 Ca 0.12 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3f5x h ASP 92 Cb 0.00 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3f5x h ASP 92 CO -0.02 0.64 -0.16 0.00 -1.72 0.00 0.00 179.24 177.97 3f5x h ALA 93 N 1.28 1.26 -0.55 3.45 0.00 -0.88 -2.98 119.26 120.85 3f5x h ALA 93 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3f5x h ALA 93 Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3f5x h ALA 93 CO -0.06 0.20 0.00 0.43 0.00 0.00 0.00 179.25 179.81 3f5x n SER 94 N -3.66 5.18 -0.13 0.00 7.64 -0.72 -4.65 113.62 117.28 3f5x n SER 94 Ca -0.02 -2.76 -0.05 0.00 1.01 0.00 0.00 58.87 57.05 3f5x n SER 94 Cb 0.28 -0.65 0.14 0.00 -1.01 0.00 0.00 64.21 62.97 3f5x n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f5x h ALA 95 N 3.90 1.06 -0.50 -0.43 0.00 -1.40 0.38 119.26 122.27 3f5x h ALA 95 Ca 0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 54.36 3f5x h ALA 95 Cb 1.76 -0.20 -0.15 0.00 0.00 0.00 0.00 17.79 19.20 3f5x h ALA 95 CO 0.40 0.59 0.36 -0.11 0.00 0.00 0.00 179.25 180.50 3f5x n LEU 96 N -4.21 5.38 0.00 0.00 7.94 -1.26 -4.18 117.00 120.68 3f5x n LEU 96 Ca 0.03 -2.80 0.00 0.00 -1.11 0.00 0.00 56.01 52.13 3f5x n LEU 96 Cb 0.31 -0.79 0.00 0.00 0.53 0.00 0.00 43.42 43.47 3f5x n LEU 96 CO 0.42 0.92 0.00 0.35 -1.11 0.00 0.00 177.39 177.97 3f5x n THR 97 N -0.13 0.00 -0.78 1.96 -2.24 -1.15 -5.16 114.28 106.78 3f5x n THR 97 Ca 0.30 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.17 3f5x n THR 97 Cb 0.93 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 3f5x n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f5x n GLY 98 N -0.00 -3.09 3.70 3.38 0.00 0.13 -4.76 105.19 104.56 3f5x n GLY 98 Ca 0.00 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 3f5x n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f5x s ILE 99 N -3.83 4.17 0.58 -0.61 1.01 -1.26 -4.92 121.20 116.34 3f5x s ILE 99 Ca 0.00 1.55 -0.20 0.00 0.00 0.00 0.00 60.65 62.00 3f5x s ILE 99 Cb 0.00 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3f5x s ILE 99 CO 0.00 0.08 1.06 -2.65 0.00 0.00 0.00 174.94 173.43 3f5x n PRO 100 N 4.32 1.09 -0.30 2.79 -0.02 -1.26 -4.77 135.00 136.85 3f5x n PRO 100 Ca 0.09 0.41 -0.02 0.00 -2.02 0.00 0.00 63.50 61.97 3f5x n PRO 100 Cb 0.47 -2.25 0.14 0.00 -0.02 0.00 0.00 33.50 31.84 3f5x n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3f5x h LEU 101 N 0.75 1.04 -1.56 2.45 5.85 -1.98 -1.96 115.31 119.89 3f5x h LEU 101 Ca -0.49 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.17 3f5x h LEU 101 Cb 1.35 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3f5x h LEU 101 CO 0.53 0.80 0.30 -0.65 -0.34 0.00 0.00 178.44 179.08 3f5x h PRO 102 N 1.18 0.59 -0.10 5.25 0.11 -1.99 -0.05 132.00 136.99 3f5x h PRO 102 Ca 0.31 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.19 3f5x h PRO 102 Cb -0.03 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 3f5x h PRO 102 CO -0.06 0.39 -0.74 1.25 -0.21 0.00 0.00 178.00 178.63 3f5x h LEU 103 N 0.60 0.59 -0.24 2.35 5.85 -1.76 -1.76 115.31 120.94 3f5x h LEU 103 Ca 0.17 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3f5x h LEU 103 Cb -0.05 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3f5x h LEU 103 CO -0.04 1.14 0.14 0.40 -0.34 0.00 0.00 178.44 179.75 3f5x h ILE 104 N 0.34 1.10 -0.24 4.05 2.04 -0.93 0.28 117.51 124.15 3f5x h ILE 104 Ca -0.04 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3f5x h ILE 104 Cb 1.33 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3f5x h ILE 104 CO 0.13 0.10 0.15 0.50 0.00 0.00 0.00 178.15 179.03 3f5x h LYS 105 N 0.30 0.29 -0.25 2.37 3.64 -1.00 -0.66 116.57 121.26 3f5x h LYS 105 Ca 0.09 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3f5x h LYS 105 Cb 0.03 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3f5x h LYS 105 CO -0.02 0.19 -0.07 1.03 -2.27 0.00 0.00 179.45 178.32 3f5x h SER 106 N 0.30 -0.25 -0.54 4.20 0.87 -1.18 -0.74 113.55 116.22 3f5x h SER 106 Ca 0.09 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3f5x h SER 106 Cb -0.01 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3f5x h SER 106 CO -0.04 -0.09 0.21 1.88 -0.53 0.00 0.00 176.83 178.26 3f5x h TYR 107 N -0.01 0.82 -0.63 2.24 0.05 -0.65 -1.39 116.97 117.41 3f5x h TYR 107 Ca 0.12 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 3f5x h TYR 107 Cb 0.19 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3f5x h TYR 107 CO -0.26 0.68 0.09 1.25 -1.05 0.00 0.00 178.16 178.87 3f5x h LEU 108 N 0.73 1.01 -0.27 3.88 5.85 -0.97 -0.56 115.31 124.98 3f5x h LEU 108 Ca 0.18 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3f5x h LEU 108 Cb 0.21 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3f5x h LEU 108 CO -0.01 1.02 0.14 0.15 -0.34 0.00 0.00 178.44 179.40 3f5x h PHE 109 N 0.96 0.27 -0.54 1.25 3.57 -0.87 -0.78 116.94 120.79 3f5x h PHE 109 Ca 0.19 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 3f5x h PHE 109 Cb 0.45 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3f5x h PHE 109 CO 0.03 0.15 -0.07 1.96 -2.23 0.00 0.00 178.31 178.16 3f5x h GLN 110 N 0.30 1.01 -0.72 1.11 4.20 -1.11 -2.08 115.11 117.81 3f5x h GLN 110 Ca 0.11 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.41 3f5x h GLN 110 Cb 0.02 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 3f5x h GLN 110 CO -0.06 1.04 0.24 -0.07 -0.67 0.00 0.00 178.83 179.31 3f5x h LEU 111 N 0.88 1.01 -0.83 1.46 3.38 -0.91 -0.74 115.31 119.57 3f5x h LEU 111 Ca 0.14 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3f5x h LEU 111 Cb 0.63 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3f5x h LEU 111 CO 0.04 0.93 -0.12 -0.07 0.09 0.00 0.00 178.44 179.31 3f5x h LEU 112 N 1.06 0.74 -0.36 1.67 3.38 -1.01 0.13 115.31 120.91 3f5x h LEU 112 Ca 0.24 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3f5x h LEU 112 Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3f5x h LEU 112 CO -0.01 0.88 -0.02 1.56 0.09 0.00 0.00 178.44 180.94 3f5x h GLN 113 N 0.68 0.65 -0.42 1.13 4.20 -1.05 0.38 115.11 120.67 3f5x h GLN 113 Ca 0.11 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.64 3f5x h GLN 113 Cb 0.59 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 3f5x h GLN 113 CO 0.04 0.77 0.21 0.78 -0.67 0.00 0.00 178.83 179.95 3f5x h GLY 114 N 0.46 0.57 0.93 3.46 0.00 -1.01 -2.52 103.07 104.96 3f5x h GLY 114 Ca 0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 3f5x h GLY 114 CO 0.02 0.10 -0.14 -2.00 0.00 0.00 0.00 176.54 174.52 3f5x h LEU 115 N 0.41 0.68 -0.98 3.11 6.46 -0.71 -2.10 115.31 122.19 3f5x h LEU 115 Ca 0.18 -0.40 0.09 0.00 -0.12 0.00 0.00 57.88 57.63 3f5x h LEU 115 Cb 0.10 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 39.77 3f5x h LEU 115 CO -0.13 0.92 0.62 0.00 -0.62 0.00 0.00 178.44 179.23 3f5x h ALA 116 N 0.78 1.40 -0.19 1.25 0.00 -0.21 -0.15 119.26 122.14 3f5x h ALA 116 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3f5x h ALA 116 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3f5x h ALA 116 CO 0.04 0.33 -0.02 0.35 0.00 0.00 0.00 179.25 179.95 3f5x h PHE 117 N 1.07 0.39 -0.33 0.00 3.57 -1.25 -0.44 116.94 119.94 3f5x h PHE 117 Ca 0.45 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.94 3f5x h PHE 117 Cb 0.30 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 3f5x h PHE 117 CO -0.01 0.58 -0.12 0.00 -2.23 0.00 0.00 178.31 176.53 3f5x h HIS 119 N -0.06 0.92 0.00 0.00 3.86 -0.89 0.25 115.15 119.23 3f5x h HIS 119 Ca 0.17 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3f5x h HIS 119 Cb 0.31 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 3f5x h HIS 119 CO -0.34 0.92 -0.03 0.66 0.86 0.00 0.00 177.93 180.00 3f5x h SER 120 N 0.66 0.00 -0.84 2.45 4.64 -0.99 -0.91 113.55 118.56 3f5x h SER 120 Ca 0.11 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.11 3f5x h SER 120 Cb 0.61 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.51 3f5x h SER 120 CO 0.04 0.03 0.41 1.41 -0.87 0.00 0.00 176.83 177.85 3f5x n HIS 121 N -3.62 2.71 -4.21 4.77 8.25 -0.77 -4.95 115.22 117.40 3f5x n HIS 121 Ca -0.03 -1.43 -0.35 0.00 -0.26 0.00 0.00 57.72 55.65 3f5x n HIS 121 Cb 0.12 -0.79 -0.03 0.00 1.12 0.00 0.00 29.99 30.42 3f5x n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3f5x n ARG 122 N -0.48 -3.12 -4.55 -0.41 -4.01 -0.35 -4.95 116.66 98.80 3f5x n ARG 122 Ca 0.48 0.37 -0.33 0.00 -1.04 0.00 0.00 57.85 57.32 3f5x n ARG 122 Cb 1.50 -5.02 -0.15 0.00 -3.04 0.00 0.00 32.46 25.75 3f5x n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3f5x s VAL 123 N -3.36 2.73 -0.19 8.89 1.01 0.00 -1.27 120.40 128.22 3f5x s VAL 123 Ca 0.67 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 3f5x s VAL 123 Cb -0.37 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3f5x s VAL 123 CO 0.93 0.51 0.28 -0.76 0.00 0.00 0.00 175.10 176.07 3f5x s LEU 124 N 0.77 4.20 -0.08 3.92 1.43 0.37 -3.66 118.68 125.62 3f5x s LEU 124 Ca -0.06 0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 53.22 3f5x s LEU 124 Cb -0.15 -2.34 -0.20 0.00 0.03 0.00 0.00 46.19 43.52 3f5x s LEU 124 CO 0.01 0.06 0.90 -0.74 0.23 0.00 0.00 176.35 176.80 3f5x h HIS 125 N 6.98 -0.05 0.00 0.29 -0.00 -1.91 -0.25 115.15 120.21 3f5x h HIS 125 Ca -0.39 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3f5x h HIS 125 Cb 1.16 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 3f5x h HIS 125 CO 0.63 0.61 0.00 0.54 -0.00 0.00 0.00 177.93 179.71 3f5x n ARG 126 N -4.77 -0.18 -2.77 5.26 1.74 -1.26 -3.29 116.66 111.39 3f5x n ARG 126 Ca -0.08 0.04 -0.01 0.00 -0.77 0.00 0.00 57.85 57.03 3f5x n ARG 126 Cb 0.33 -3.46 0.08 0.00 -1.02 0.00 0.00 32.46 28.39 3f5x n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3f5x n ASP 127 N -0.09 0.41 -4.58 0.55 2.03 -1.26 -3.79 116.55 109.83 3f5x n ASP 127 Ca 0.00 -2.10 -0.42 0.00 0.52 0.00 0.00 54.79 52.79 3f5x n ASP 127 Cb 0.04 -0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 3f5x n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3f5x s LEU 128 N -3.92 3.43 0.03 -2.67 1.43 -1.26 -4.84 118.68 110.87 3f5x s LEU 128 Ca 0.20 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.78 3f5x s LEU 128 Cb 0.37 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 3f5x s LEU 128 CO -0.07 -1.76 0.03 -1.59 0.23 0.00 0.00 176.35 173.18 3f5x s LYS 129 N 5.66 0.49 0.51 1.70 -2.85 -1.26 -4.79 119.74 119.21 3f5x s LYS 129 Ca 0.59 -0.79 0.32 0.00 -1.00 0.00 0.00 55.97 55.10 3f5x s LYS 129 Cb -0.13 0.18 1.45 0.00 -2.06 0.00 0.00 37.83 37.27 3f5x s LYS 129 CO 0.27 -0.10 1.81 -1.35 0.10 0.00 0.00 175.35 176.08 3f5x h PRO 130 N 3.93 0.08 0.00 1.78 0.11 -1.94 0.35 132.00 136.30 3f5x h PRO 130 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3f5x h PRO 130 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3f5x h PRO 130 CO 0.50 0.05 -0.07 0.00 -0.21 0.00 0.00 178.00 178.27 3f5x n GLN 131 N -4.29 0.08 -0.15 1.05 10.64 -1.26 -1.93 117.38 121.53 3f5x n GLN 131 Ca 0.24 0.06 0.11 0.00 -1.83 0.00 0.00 57.00 55.58 3f5x n GLN 131 Cb 1.12 -1.58 0.28 0.00 -0.86 0.00 0.00 30.24 29.19 3f5x n GLN 131 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3f5x n ASN 132 N -1.71 2.65 -4.25 2.61 3.02 0.11 -4.83 115.26 112.86 3f5x n ASN 132 Ca 0.06 -1.88 -0.34 0.00 -0.03 0.00 0.00 54.58 52.39 3f5x n ASN 132 Cb 0.37 -0.19 -0.15 0.00 -0.61 0.00 0.00 39.78 39.20 3f5x n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3f5x s LEU 133 N -1.49 2.72 -0.10 3.41 1.43 -1.11 -1.40 118.68 122.14 3f5x s LEU 133 Ca 0.35 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3f5x s LEU 133 Cb 0.20 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 3f5x s LEU 133 CO 0.29 -0.03 0.01 -0.76 0.23 0.00 0.00 176.35 176.09 3f5x s LEU 134 N 1.41 3.63 0.21 1.79 1.43 -0.59 -0.71 118.68 125.85 3f5x s LEU 134 Ca 0.05 0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.39 3f5x s LEU 134 Cb -0.14 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 3f5x s LEU 134 CO -0.06 0.35 -0.20 0.27 0.23 0.00 0.00 176.35 176.94 3f5x s ILE 135 N -0.71 2.12 0.42 -0.59 -4.36 0.53 -0.57 121.20 118.05 3f5x s ILE 135 Ca 0.11 -2.12 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 3f5x s ILE 135 Cb -0.12 -2.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 3f5x s ILE 135 CO 0.02 -0.32 0.06 0.54 0.24 0.00 0.00 174.94 175.48 3f5x s ASN 136 N -2.97 3.21 0.56 4.36 2.20 -0.94 -1.20 114.94 120.17 3f5x s ASN 136 Ca 0.22 -1.57 0.35 0.00 -0.94 0.00 0.00 52.86 50.92 3f5x s ASN 136 Cb -0.05 0.27 1.49 0.00 -2.00 0.00 0.00 41.25 40.95 3f5x s ASN 136 CO 0.10 -0.78 2.03 0.71 -2.94 0.00 0.00 177.10 176.21 3f5x h THR 137 N 1.73 0.00 -0.00 0.54 1.35 -1.94 -2.99 112.91 111.61 3f5x h THR 137 Ca -0.40 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3f5x h THR 137 Cb 1.27 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3f5x h THR 137 CO 0.68 0.00 -0.14 -0.62 -0.25 0.00 0.00 175.52 175.19 3f5x n GLU 138 N -3.09 0.47 -0.08 4.72 4.71 -1.26 -4.46 120.64 121.65 3f5x n GLU 138 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.00 3f5x n GLU 138 Cb 0.28 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 3f5x n GLU 138 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3f5x n GLY 139 N 1.34 0.96 3.84 0.62 0.00 -1.13 -4.72 105.19 106.11 3f5x n GLY 139 Ca 0.12 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3f5x n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5x s ALA 140 N -2.00 3.44 -0.01 4.61 0.00 -1.26 -4.89 121.76 121.65 3f5x s ALA 140 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.98 3f5x s ALA 140 Cb 0.00 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 3f5x s ALA 140 CO 0.00 0.39 -0.11 -1.50 0.00 0.00 0.00 175.76 174.53 3f5x s ILE 141 N -1.71 0.90 0.04 0.00 2.07 -1.26 -2.22 121.20 119.02 3f5x s ILE 141 Ca 0.46 -0.47 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 3f5x s ILE 141 Cb -0.13 -0.76 -0.02 0.00 0.13 0.00 0.00 42.46 41.68 3f5x s ILE 141 CO 0.19 0.26 -0.08 -0.54 -1.91 0.00 0.00 174.94 172.86 3f5x s LYS 142 N -0.19 0.55 0.19 3.50 1.02 0.27 -4.64 119.74 120.43 3f5x s LYS 142 Ca 0.03 -0.77 -0.30 0.00 0.02 0.00 0.00 55.97 54.95 3f5x s LYS 142 Cb -0.05 -0.33 -0.08 0.00 -0.52 0.00 0.00 37.83 36.85 3f5x s LYS 142 CO -0.00 0.06 1.15 -0.51 -0.92 0.00 0.00 175.35 175.13 3f5x s LEU 143 N -1.58 4.47 0.00 3.17 1.43 -0.40 -1.54 118.68 124.22 3f5x s LEU 143 Ca -0.09 2.18 0.06 0.00 -1.03 0.00 0.00 54.13 55.24 3f5x s LEU 143 Cb -0.10 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 3f5x s LEU 143 CO 0.01 -0.29 0.20 0.00 0.23 0.00 0.00 176.35 176.49 3f5x n ALA 144 N 2.35 0.63 -3.15 4.21 0.00 -0.49 -1.74 120.51 122.32 3f5x n ALA 144 Ca 0.03 -1.99 -0.20 0.00 0.00 0.00 0.00 53.44 51.27 3f5x n ALA 144 Cb 0.45 1.45 0.02 0.00 0.00 0.00 0.00 19.45 21.38 3f5x n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3f5x n ASP 145 N -1.61 -6.90 -1.86 0.00 -0.08 -1.26 -4.82 116.55 100.02 3f5x n ASP 145 Ca -0.00 0.19 -0.02 0.00 -1.51 0.00 0.00 54.79 53.44 3f5x n ASP 145 Cb 0.60 -3.82 0.30 0.00 2.34 0.00 0.00 41.12 40.54 3f5x n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3f5x n PHE 146 N -0.41 2.15 -0.26 -0.67 3.01 -1.26 -4.54 117.46 115.49 3f5x n PHE 146 Ca 0.02 -0.98 -0.01 0.00 1.01 0.00 0.00 57.45 57.49 3f5x n PHE 146 Cb 0.56 -0.60 0.18 0.00 -0.01 0.00 0.00 39.48 39.61 3f5x n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3f5x h GLY 147 N 3.27 1.16 -0.55 1.37 0.00 -1.92 -2.00 103.07 104.39 3f5x h GLY 147 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3f5x h GLY 147 CO 0.61 0.46 -0.05 1.04 0.00 0.00 0.00 176.54 178.61 3f5x n LEU 148 N -4.37 1.63 -4.75 3.11 4.77 -1.26 -4.53 117.00 111.59 3f5x n LEU 148 Ca 0.09 -0.53 -0.34 0.00 -0.03 0.00 0.00 56.01 55.19 3f5x n LEU 148 Cb 0.07 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3f5x n LEU 148 CO 0.37 0.28 0.79 0.00 -1.33 0.00 0.00 177.39 177.50 3f5x s ALA 149 N -2.09 2.41 -0.05 -1.18 0.00 -0.75 -4.76 121.76 115.33 3f5x s ALA 149 Ca 0.34 0.80 -0.05 0.00 0.00 0.00 0.00 51.96 53.05 3f5x s ALA 149 Cb 0.21 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.94 3f5x s ALA 149 CO 0.37 -1.37 0.14 1.03 0.00 0.00 0.00 175.76 175.93 3f5x s ARG 150 N -3.74 0.16 0.21 0.00 1.81 -0.11 -4.86 118.95 112.42 3f5x s ARG 150 Ca 0.73 0.20 -0.30 0.00 -1.72 0.00 0.00 55.73 54.64 3f5x s ARG 150 Cb -0.26 0.08 -0.08 0.00 -0.45 0.00 0.00 34.95 34.24 3f5x s ARG 150 CO 0.39 -0.02 1.07 0.00 -0.68 0.00 0.00 175.30 176.05 3f5x s ALA 151 N 0.08 3.37 -0.24 2.13 0.00 -1.26 -0.48 121.76 125.36 3f5x s ALA 151 Ca -0.00 0.79 0.12 0.00 0.00 0.00 0.00 51.96 52.88 3f5x s ALA 151 Cb -0.01 -3.32 0.46 0.00 0.00 0.00 0.00 23.12 20.25 3f5x s ALA 151 CO 0.00 -0.12 1.18 1.97 0.00 0.00 0.00 175.76 178.79 3f5x n PHE 152 N 1.92 1.60 0.27 0.00 -1.74 -0.40 -4.63 117.46 114.49 3f5x n PHE 152 Ca 0.01 -1.89 0.12 0.00 -0.56 0.00 0.00 57.45 55.13 3f5x n PHE 152 Cb 0.46 -0.28 0.77 0.00 1.52 0.00 0.00 39.48 41.95 3f5x n PHE 152 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 3f5x h GLY 153 N 1.88 0.00 -5.15 4.97 0.00 -1.95 -3.37 103.07 99.46 3f5x h GLY 153 Ca 0.14 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.79 3f5x h GLY 153 CO 0.42 0.00 -0.83 0.14 0.00 0.00 0.00 176.54 176.27 3f5x s VAL 154 N -4.66 2.49 0.27 4.60 1.01 -1.26 -5.11 120.40 117.74 3f5x s VAL 154 Ca -0.04 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 3f5x s VAL 154 Cb 0.15 -1.96 -0.14 0.00 0.00 0.00 0.00 36.38 34.43 3f5x s VAL 154 CO 0.60 0.56 1.13 -2.65 0.00 0.00 0.00 175.10 174.75 3f5x n PRO 155 N 3.03 1.54 -3.17 2.72 -0.02 -1.26 -4.93 135.00 132.91 3f5x n PRO 155 Ca -0.18 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 3f5x n PRO 155 Cb 0.52 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 3f5x n PRO 155 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3f5x s VAL 156 N -0.79 5.04 0.13 -1.45 1.01 -1.26 -5.00 120.40 118.08 3f5x s VAL 156 Ca 0.62 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 3f5x s VAL 156 Cb -0.70 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 31.72 3f5x s VAL 156 CO 0.58 0.11 1.12 -0.13 0.00 0.00 0.00 175.10 176.77 3f5x s ARG 157 N 2.03 4.54 0.49 2.72 0.52 -1.26 -0.79 118.95 127.21 3f5x s ARG 157 Ca 0.26 1.71 -0.23 0.00 -0.52 0.00 0.00 55.73 56.94 3f5x s ARG 157 Cb -0.16 -3.31 -0.07 0.00 0.52 0.00 0.00 34.95 31.93 3f5x s ARG 157 CO 0.09 -0.03 1.33 0.25 0.02 0.00 0.00 175.30 176.97 3f5x n THR 158 N 2.93 3.22 -3.22 0.02 -2.24 0.57 -4.80 114.28 110.75 3f5x n THR 158 Ca 0.05 -0.50 -0.28 0.00 -2.27 0.00 0.00 64.05 61.05 3f5x n THR 158 Cb 0.47 -1.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.01 3f5x n THR 158 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3f5x s TYR 159 N -1.25 3.49 0.07 4.78 6.14 -1.26 -5.00 117.35 124.31 3f5x s TYR 159 Ca 0.66 0.66 -0.17 0.00 0.64 0.00 0.00 57.07 58.86 3f5x s TYR 159 Cb -0.45 -2.13 -0.12 0.00 0.42 0.00 0.00 41.96 39.68 3f5x s TYR 159 CO 0.54 0.09 1.36 1.79 0.64 0.00 0.00 175.55 179.96 3f5x h THR 160 N 1.12 1.33 0.00 4.34 1.35 -2.01 -3.45 112.91 115.59 3f5x h THR 160 Ca -0.48 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 3f5x h THR 160 Cb 1.20 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 3f5x h THR 160 CO 0.65 0.46 0.00 1.41 -0.25 0.00 0.00 175.52 177.79 3f5x n HIS 161 N -4.33 0.00 -3.99 4.73 8.25 -1.26 -5.05 115.22 113.57 3f5x n HIS 161 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.06 3f5x n HIS 161 Cb 0.47 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.47 3f5x n HIS 161 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3f5x s GLU 162 N 0.00 3.76 -0.20 -0.41 4.04 -1.26 -5.03 118.70 119.60 3f5x s GLU 162 Ca 0.00 -0.44 -0.35 0.00 0.04 0.00 0.00 54.97 54.21 3f5x s GLU 162 Cb 0.00 -3.19 0.14 0.00 0.02 0.00 0.00 34.13 31.10 3f5x s GLU 162 CO 0.00 0.06 1.24 0.54 -1.84 0.00 0.00 175.26 175.25 3f5x s VAL 163 N 0.92 0.00 0.00 1.83 0.11 -1.26 -4.97 120.40 117.04 3f5x s VAL 163 Ca 0.03 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 3f5x s VAL 163 Cb -0.14 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 3f5x s VAL 163 CO 0.02 0.00 0.00 0.52 -3.33 0.00 0.00 175.10 172.31 3f5x n VAL 164 N -0.09 0.00 -1.23 2.04 0.31 -1.25 -4.66 118.33 113.44 3f5x n VAL 164 Ca 0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.94 3f5x n VAL 164 Cb 0.58 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.51 3f5x n VAL 164 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 3f5x n THR 165 N 0.21 0.64 -0.29 2.52 5.66 -1.26 -4.64 114.28 117.11 3f5x n THR 165 Ca 0.00 -0.47 0.07 0.00 -3.05 0.00 0.00 64.05 60.60 3f5x n THR 165 Cb 0.00 0.00 0.23 0.00 -1.55 0.00 0.00 70.33 69.01 3f5x n THR 165 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3f5x h LEU 166 N 0.32 0.49 -2.30 1.09 5.85 -1.94 -2.74 115.31 116.08 3f5x h LEU 166 Ca -0.35 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3f5x h LEU 166 Cb 1.37 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 3f5x h LEU 166 CO 0.45 0.19 -0.04 -0.50 -0.34 0.00 0.00 178.44 178.20 3f5x h TRP 167 N 0.59 0.00 -0.32 1.25 4.06 -1.86 -2.39 115.95 117.28 3f5x h TRP 167 Ca 0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.41 3f5x h TRP 167 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 3f5x h TRP 167 CO -0.10 0.04 0.00 0.66 -3.56 0.00 0.00 178.44 175.48 3f5x n TYR 168 N -3.73 0.47 -2.66 0.49 4.01 -1.03 -4.63 117.16 110.08 3f5x n TYR 168 Ca -0.03 -0.53 -0.41 0.00 -0.16 0.00 0.00 57.90 56.78 3f5x n TYR 168 Cb 0.14 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 3f5x n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3f5x s ARG 169 N -1.12 4.67 0.48 -0.72 3.52 -0.90 -4.01 118.95 120.88 3f5x s ARG 169 Ca 0.23 1.54 -0.17 0.00 -0.13 0.00 0.00 55.73 57.20 3f5x s ARG 169 Cb 0.13 -3.34 -0.09 0.00 -1.56 0.00 0.00 34.95 30.10 3f5x s ARG 169 CO 0.14 0.18 0.96 0.00 -0.81 0.00 0.00 175.30 175.78 3f5x s ALA 170 N -0.14 3.08 0.24 6.12 0.00 -1.26 -4.93 121.76 124.87 3f5x s ALA 170 Ca 0.47 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 3f5x s ALA 170 Cb -0.26 -3.09 0.35 0.00 0.00 0.00 0.00 23.12 20.12 3f5x s ALA 170 CO 0.32 -0.12 1.81 -1.00 0.00 0.00 0.00 175.76 176.77 3f5x h PRO 171 N 1.21 0.75 -0.57 0.00 0.13 -1.96 -2.01 132.00 129.57 3f5x h PRO 171 Ca -0.47 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 64.66 3f5x h PRO 171 Cb 1.18 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 3f5x h PRO 171 CO 0.62 0.50 0.38 0.93 -0.23 0.00 0.00 178.00 180.19 3f5x h GLU 172 N 0.78 0.56 -0.10 0.86 3.07 -1.94 0.32 114.58 118.13 3f5x h GLU 172 Ca 0.37 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.14 3f5x h GLU 172 Cb 0.30 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3f5x h GLU 172 CO -0.23 0.37 -0.17 0.82 -1.40 0.00 0.00 179.01 178.40 3f5x h ILE 173 N 0.58 1.38 -0.92 3.13 2.04 -1.73 0.10 117.51 122.10 3f5x h ILE 173 Ca 0.24 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.68 3f5x h ILE 173 Cb 0.21 2.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 3f5x h ILE 173 CO -0.07 0.41 0.61 -0.07 0.00 0.00 0.00 178.15 179.03 3f5x h LEU 174 N -0.13 1.04 -0.62 1.44 3.38 -1.00 -1.57 115.31 117.85 3f5x h LEU 174 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3f5x h LEU 174 Cb 0.74 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3f5x h LEU 174 CO 0.04 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.50 3f5x n LEU 175 N -4.40 0.85 -0.65 1.67 4.77 0.11 -4.83 117.00 114.52 3f5x n LEU 175 Ca 0.11 -0.43 -0.06 0.00 -0.03 0.00 0.00 56.01 55.60 3f5x n LEU 175 Cb 0.03 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3f5x n LEU 175 CO 0.36 0.19 -0.07 0.61 -1.33 0.00 0.00 177.39 177.15 3f5x n GLY 176 N 0.57 0.15 3.53 -0.72 0.00 -0.59 -2.73 105.19 105.41 3f5x n GLY 176 Ca 0.04 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 3f5x n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5x h LYS 178 N -0.90 0.43 -6.67 0.00 3.64 -1.95 -3.43 116.57 107.68 3f5x h LYS 178 Ca -0.45 -0.73 -0.70 0.00 -1.27 0.00 0.00 60.65 57.51 3f5x h LYS 178 Cb 1.31 0.27 -0.27 0.00 -0.41 0.00 0.00 32.23 33.14 3f5x h LYS 178 CO 0.41 1.33 -0.87 0.71 -2.27 0.00 0.00 179.45 178.77 3f5x s TYR 179 N -2.60 2.37 0.72 1.91 2.02 -1.26 -0.32 117.35 120.19 3f5x s TYR 179 Ca -0.12 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.06 3f5x s TYR 179 Cb 0.05 -1.43 0.03 0.00 -0.40 0.00 0.00 41.96 40.21 3f5x s TYR 179 CO 0.89 0.11 1.11 0.71 -1.57 0.00 0.00 175.55 176.79 3f5x s TYR 180 N -0.77 2.53 0.31 2.71 1.51 0.03 -4.84 117.35 118.84 3f5x s TYR 180 Ca 0.12 1.57 0.04 0.00 -1.01 0.00 0.00 57.07 57.78 3f5x s TYR 180 Cb -0.10 -3.14 -0.03 0.00 -0.11 0.00 0.00 41.96 38.58 3f5x s TYR 180 CO 0.02 -1.83 0.19 -1.54 -1.11 0.00 0.00 175.55 171.28 3f5x s SER 181 N -2.92 1.59 0.60 2.29 1.04 -1.26 -4.51 113.70 110.53 3f5x s SER 181 Ca 0.65 -1.62 0.38 0.00 0.48 0.00 0.00 55.95 55.84 3f5x s SER 181 Cb -0.19 0.46 1.84 0.00 0.10 0.00 0.00 66.02 68.22 3f5x s SER 181 CO 0.49 -0.95 2.16 0.71 0.98 0.00 0.00 173.24 176.63 3f5x h THR 182 N 2.18 0.04 -0.57 2.02 1.35 -1.98 -2.87 112.91 113.08 3f5x h THR 182 Ca -0.31 -0.30 0.13 0.00 -0.55 0.00 0.00 66.41 65.38 3f5x h THR 182 Cb 1.25 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 68.92 3f5x h THR 182 CO 0.47 0.01 0.40 0.00 -0.25 0.00 0.00 175.52 176.15 3f5x h ALA 183 N 1.99 2.26 -0.32 6.62 0.00 -1.93 -2.27 119.26 125.60 3f5x h ALA 183 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3f5x h ALA 183 Cb 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3f5x h ALA 183 CO 0.00 -0.41 -0.02 -0.39 0.00 0.00 0.00 179.25 178.44 3f5x h VAL 184 N 0.21 1.20 -0.32 0.00 -1.51 -1.92 -0.34 116.25 113.57 3f5x h VAL 184 Ca 0.27 -0.80 -0.16 0.00 -1.23 0.00 0.00 66.70 64.78 3f5x h VAL 184 Cb 0.80 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 3f5x h VAL 184 CO -0.05 0.27 -0.45 0.44 -1.23 0.00 0.00 177.57 176.56 3f5x h ASP 185 N 0.48 0.88 -0.55 4.19 3.32 -1.63 -2.72 116.42 120.40 3f5x h ASP 185 Ca 0.10 -0.43 -0.10 0.00 0.02 0.00 0.00 57.03 56.63 3f5x h ASP 185 Cb 0.34 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3f5x h ASP 185 CO 0.01 1.20 -0.04 0.40 -1.72 0.00 0.00 179.24 179.09 3f5x h ILE 186 N 0.65 1.26 0.09 0.35 1.08 -1.35 -2.46 117.51 117.14 3f5x h ILE 186 Ca 0.04 -1.18 0.01 0.00 -0.39 0.00 0.00 64.86 63.35 3f5x h ILE 186 Cb 1.02 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 3f5x h ILE 186 CO 0.10 0.42 -0.17 -0.25 -0.69 0.00 0.00 178.15 177.56 3f5x h TRP 187 N 0.92 -0.45 -0.85 1.37 2.91 -1.05 -1.07 115.95 117.72 3f5x h TRP 187 Ca 0.16 0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.29 3f5x h TRP 187 Cb 0.59 0.19 -0.08 0.00 -0.51 0.00 0.00 29.16 29.35 3f5x h TRP 187 CO 0.04 -0.26 0.49 0.77 -1.03 0.00 0.00 178.44 178.45 3f5x h SER 188 N -0.33 0.69 -0.26 2.65 0.02 -1.41 -1.81 113.55 113.10 3f5x h SER 188 Ca 0.03 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 3f5x h SER 188 Cb 0.36 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3f5x h SER 188 CO -0.10 0.38 -0.27 0.25 -1.14 0.00 0.00 176.83 175.95 3f5x h LEU 189 N 0.80 0.77 -0.33 5.07 5.85 -1.17 -0.85 115.31 125.45 3f5x h LEU 189 Ca 0.42 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3f5x h LEU 189 Cb 0.41 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3f5x h LEU 189 CO -0.26 1.00 0.06 1.23 -0.34 0.00 0.00 178.44 180.13 3f5x h GLY 190 N 0.96 0.38 1.01 3.75 0.00 -0.60 0.11 103.07 108.69 3f5x h GLY 190 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3f5x h GLY 190 CO 0.07 -0.03 0.54 0.00 0.00 0.00 0.00 176.54 177.11 3f5x h ILE 192 N 1.15 1.27 0.32 0.00 2.04 -0.88 -1.49 117.51 119.91 3f5x h ILE 192 Ca 0.31 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3f5x h ILE 192 Cb -0.10 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3f5x h ILE 192 CO -0.06 0.44 -0.39 0.15 0.00 0.00 0.00 178.15 178.29 3f5x h PHE 193 N 0.73 -1.08 -0.76 1.37 3.57 -0.50 -1.43 116.94 118.84 3f5x h PHE 193 Ca 0.11 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.73 3f5x h PHE 193 Cb 0.72 0.43 -0.08 0.00 2.79 0.00 0.00 35.95 39.81 3f5x h PHE 193 CO 0.05 -0.53 0.37 0.00 -2.23 0.00 0.00 178.31 175.98 3f5x h ALA 194 N -0.33 1.08 -0.92 2.41 0.00 -1.21 -2.13 119.26 118.16 3f5x h ALA 194 Ca -0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3f5x h ALA 194 Cb 0.70 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3f5x h ALA 194 CO -0.11 -0.08 0.57 1.49 0.00 0.00 0.00 179.25 181.12 3f5x h GLU 195 N 0.59 1.23 -0.54 0.00 4.81 -0.94 0.15 114.58 119.88 3f5x h GLU 195 Ca 0.39 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3f5x h GLU 195 Cb 0.49 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3f5x h GLU 195 CO -0.32 0.84 0.14 0.52 -0.73 0.00 0.00 179.01 179.47 3f5x h MET 196 N 1.26 0.86 -0.26 1.92 2.86 -0.78 0.10 114.93 120.89 3f5x h MET 196 Ca 0.33 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3f5x h MET 196 Cb -0.09 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3f5x h MET 196 CO -0.07 0.80 -0.13 0.28 1.06 0.00 0.00 176.91 178.86 3f5x h VAL 197 N 0.76 1.30 0.00 -2.22 2.07 -0.82 -3.34 116.25 114.00 3f5x h VAL 197 Ca 0.17 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3f5x h VAL 197 Cb 0.32 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3f5x h VAL 197 CO -0.00 0.38 -1.32 0.35 0.02 0.00 0.00 177.57 177.00 3f5x n THR 198 N -4.46 0.26 -1.62 2.57 -2.24 -0.01 -4.89 114.28 103.88 3f5x n THR 198 Ca -0.04 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.24 3f5x n THR 198 Cb 0.36 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 3f5x n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3f5x n ARG 199 N -2.27 -0.65 -3.73 -0.78 1.74 0.35 -5.03 116.66 106.30 3f5x n ARG 199 Ca -0.00 0.66 -0.14 0.00 -0.77 0.00 0.00 57.85 57.60 3f5x n ARG 199 Cb 0.51 -4.57 -0.09 0.00 -1.02 0.00 0.00 32.46 27.28 3f5x n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3f5x s ARG 200 N -3.42 0.60 0.23 5.56 1.70 -1.19 -5.04 118.95 117.38 3f5x s ARG 200 Ca 0.00 0.21 -0.31 0.00 -0.47 0.00 0.00 55.73 55.16 3f5x s ARG 200 Cb 0.00 0.28 -0.15 0.00 -0.57 0.00 0.00 34.95 34.51 3f5x s ARG 200 CO 0.00 -0.13 1.13 0.00 -1.08 0.00 0.00 175.30 175.22 3f5x n ALA 201 N 2.03 -0.26 -0.07 7.88 0.00 -1.26 -4.11 120.51 124.73 3f5x n ALA 201 Ca -0.17 0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.54 3f5x n ALA 201 Cb 0.57 -2.06 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 3f5x n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3f5x h LEU 202 N 2.91 0.83 -6.24 0.00 6.46 -1.92 -3.39 115.31 113.96 3f5x h LEU 202 Ca -0.42 -0.54 -0.58 0.00 -0.12 0.00 0.00 57.88 56.22 3f5x h LEU 202 Cb 1.33 -0.24 -0.39 0.00 -0.73 0.00 0.00 40.66 40.63 3f5x h LEU 202 CO 0.67 1.22 -0.98 0.49 -0.62 0.00 0.00 178.44 179.22 3f5x n PHE 203 N -4.13 -0.05 -2.04 1.25 3.72 -1.26 -4.98 117.46 109.96 3f5x n PHE 203 Ca -0.05 -3.55 -0.42 0.00 -0.05 0.00 0.00 57.45 53.37 3f5x n PHE 203 Cb 0.58 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 3f5x n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3f5x n PRO 204 N 1.99 3.15 -2.35 -1.08 -0.04 -1.26 -4.49 135.00 130.92 3f5x n PRO 204 Ca 0.25 -3.01 -0.40 0.00 -0.04 0.00 0.00 63.50 60.31 3f5x n PRO 204 Cb 0.49 -3.17 -0.03 0.00 -0.04 0.00 0.00 33.50 30.74 3f5x n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3f5x s GLY 205 N 2.47 3.00 0.18 0.55 0.00 -1.26 -4.95 107.32 107.31 3f5x s GLY 205 Ca 0.45 1.00 0.25 0.00 0.00 0.00 0.00 44.72 46.42 3f5x s GLY 205 CO -0.04 1.60 1.57 -0.55 0.00 0.00 0.00 173.10 175.68 3f5x h ASP 206 N 3.45 0.00 -5.02 1.64 3.32 -1.94 -3.45 116.42 114.41 3f5x h ASP 206 Ca -0.48 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 56.51 3f5x h ASP 206 Cb 1.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 3f5x h ASP 206 CO 0.66 0.04 0.22 -0.94 -1.72 0.00 0.00 179.24 177.50 3f5x s SER 207 N -4.47 -0.13 0.11 6.45 1.04 -1.26 -5.01 113.70 110.43 3f5x s SER 207 Ca 0.09 -0.84 -0.21 0.00 0.48 0.00 0.00 55.95 55.46 3f5x s SER 207 Cb 0.12 0.77 -0.10 0.00 0.10 0.00 0.00 66.02 66.92 3f5x s SER 207 CO 0.65 -1.47 1.76 -0.33 0.98 0.00 0.00 173.24 174.84 3f5x h GLU 208 N 2.01 0.17 -0.40 4.02 5.08 -1.98 0.45 114.58 123.93 3f5x h GLU 208 Ca -0.24 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.00 3f5x h GLU 208 Cb 1.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3f5x h GLU 208 CO 0.30 0.11 -0.17 0.82 -1.00 0.00 0.00 179.01 179.08 3f5x h ILE 209 N 0.18 1.28 -0.69 3.13 2.04 -1.97 -1.45 117.51 120.03 3f5x h ILE 209 Ca 0.05 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 3f5x h ILE 209 Cb -0.02 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3f5x h ILE 209 CO -0.01 0.44 0.26 -0.78 0.00 0.00 0.00 178.15 178.06 3f5x h ASP 210 N 0.64 0.93 0.13 1.72 3.58 -1.93 -0.99 116.42 120.51 3f5x h ASP 210 Ca 0.09 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 3f5x h ASP 210 Cb 0.72 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.53 3f5x h ASP 210 CO 0.05 0.84 -0.06 -0.61 -2.88 0.00 0.00 179.24 176.58 3f5x h GLN 211 N 0.99 -0.17 -0.48 0.28 5.75 0.12 -1.69 115.11 119.91 3f5x h GLN 211 Ca 0.23 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.83 3f5x h GLN 211 Cb 0.20 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.72 3f5x h GLN 211 CO -0.02 -0.02 0.02 -0.07 -2.65 0.00 0.00 178.83 176.09 3f5x h LEU 212 N -0.29 -0.15 -0.67 -2.39 3.38 -1.11 -2.59 115.31 111.50 3f5x h LEU 212 Ca -0.02 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3f5x h LEU 212 Cb 0.23 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3f5x h LEU 212 CO 0.03 -0.05 -0.18 -0.26 0.09 0.00 0.00 178.44 178.08 3f5x h PHE 213 N 0.14 0.96 -0.84 1.13 -1.00 -1.06 0.28 116.94 116.55 3f5x h PHE 213 Ca 0.24 -0.21 0.02 0.00 2.81 0.00 0.00 57.97 60.83 3f5x h PHE 213 Cb 0.35 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 3f5x h PHE 213 CO -0.28 0.96 0.56 0.00 -1.61 0.00 0.00 178.31 177.93 3f5x h ARG 214 N 0.75 1.07 -0.20 1.51 3.08 -1.20 0.18 114.38 119.56 3f5x h ARG 214 Ca 0.11 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3f5x h ARG 214 Cb 0.70 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3f5x h ARG 214 CO 0.05 0.71 -0.01 0.82 -1.07 0.00 0.00 179.97 180.47 3f5x h ILE 215 N 1.10 1.26 -0.59 2.04 2.04 -1.00 -2.81 117.51 119.57 3f5x h ILE 215 Ca 0.32 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.29 3f5x h ILE 215 Cb -0.07 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3f5x h ILE 215 CO -0.08 0.28 0.35 -0.26 0.00 0.00 0.00 178.15 178.44 3f5x h PHE 216 N 0.12 0.65 -0.52 1.37 0.04 -0.51 0.13 116.94 118.22 3f5x h PHE 216 Ca 0.06 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3f5x h PHE 216 Cb 0.43 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 3f5x h PHE 216 CO 0.04 0.36 0.26 0.00 -0.60 0.00 0.00 178.31 178.37 3f5x h ARG 217 N 0.68 0.72 0.05 1.51 3.08 -0.66 0.75 114.38 120.51 3f5x h ARG 217 Ca 0.24 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 3f5x h ARG 217 Cb 0.05 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3f5x h ARG 217 CO -0.11 0.55 -0.60 1.15 -1.07 0.00 0.00 179.97 179.89 3f5x h THR 218 N 0.73 1.48 0.00 2.04 2.02 -1.21 -3.41 112.91 114.56 3f5x h THR 218 Ca 0.18 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.99 3f5x h THR 218 Cb 0.06 3.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 3f5x h THR 218 CO -0.03 0.60 -1.02 0.18 0.37 0.00 0.00 175.52 175.62 3f5x n LEU 219 N -4.36 0.94 0.00 2.58 4.77 0.43 -2.59 117.00 118.76 3f5x n LEU 219 Ca -0.16 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3f5x n LEU 219 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3f5x n LEU 219 CO 0.36 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3f5x n GLY 220 N 1.48 1.17 3.69 -0.72 0.00 0.26 -4.26 105.19 106.81 3f5x n GLY 220 Ca 0.04 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 3f5x n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f5x s THR 221 N -2.09 3.83 0.35 2.61 2.01 -0.79 -4.55 115.64 117.00 3f5x s THR 221 Ca 0.00 1.20 -0.26 0.00 0.31 0.00 0.00 61.69 62.94 3f5x s THR 221 Cb 0.00 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 3f5x s THR 221 CO 0.00 -0.00 1.07 -2.16 -0.69 0.00 0.00 174.62 172.84 3f5x s PRO 222 N 2.33 4.35 0.47 4.92 0.04 -1.26 -4.86 135.00 140.99 3f5x s PRO 222 Ca 0.62 1.63 0.02 0.00 0.04 0.00 0.00 61.00 63.32 3f5x s PRO 222 Cb -0.30 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 31.43 3f5x s PRO 222 CO 0.26 -0.01 0.08 0.16 0.04 0.00 0.00 177.00 177.53 3f5x s ASP 223 N -1.29 3.49 0.63 6.66 1.47 -1.26 -4.95 116.67 121.42 3f5x s ASP 223 Ca 0.52 -1.72 0.41 0.00 1.18 0.00 0.00 52.55 52.95 3f5x s ASP 223 Cb -0.26 0.62 2.13 0.00 -0.34 0.00 0.00 42.92 45.07 3f5x s ASP 223 CO 0.33 -0.95 2.25 -0.33 0.68 0.00 0.00 175.17 177.15 3f5x h GLU 224 N 1.52 0.00 0.21 2.11 4.39 -1.97 0.35 114.58 121.19 3f5x h GLU 224 Ca -0.39 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.01 3f5x h GLU 224 Cb 1.30 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.98 3f5x h GLU 224 CO 0.63 0.00 -1.37 0.28 -1.16 0.00 0.00 179.01 177.39 3f5x h VAL 225 N 0.00 1.27 -0.07 3.13 2.07 -1.99 -2.90 116.25 117.76 3f5x h VAL 225 Ca 0.00 -2.62 -0.23 0.00 0.82 0.00 0.00 66.70 64.68 3f5x h VAL 225 Cb 0.13 3.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.93 3f5x h VAL 225 CO 0.00 0.79 -0.87 0.58 0.02 0.00 0.00 177.57 178.09 3f5x h VAL 226 N -0.00 1.33 -2.03 2.57 2.07 -1.86 -3.41 116.25 114.91 3f5x h VAL 226 Ca -0.25 -2.18 -0.46 0.00 0.82 0.00 0.00 66.70 64.63 3f5x h VAL 226 Cb 2.02 2.20 -0.32 0.00 -1.52 0.00 0.00 31.29 33.67 3f5x h VAL 226 CO 0.22 0.67 -0.82 0.86 0.02 0.00 0.00 177.57 178.52 3f5x s TRP 227 N -3.51 0.27 -0.35 1.57 -0.00 0.07 -4.50 118.94 112.50 3f5x s TRP 227 Ca -0.08 -1.67 -0.36 0.00 -0.00 0.00 0.00 56.10 53.98 3f5x s TRP 227 Cb 0.09 -0.57 -0.12 0.00 -0.00 0.00 0.00 33.47 32.86 3f5x s TRP 227 CO 0.89 -0.95 2.15 -2.30 -0.00 0.00 0.00 176.95 176.75 3f5x n PRO 228 N 3.17 1.04 0.00 5.86 -0.02 -1.09 -1.65 135.00 142.31 3f5x n PRO 228 Ca 0.23 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3f5x n PRO 228 Cb 0.48 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3f5x n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f5x n GLY 229 N 6.44 2.13 0.29 -1.23 0.00 -1.26 -5.02 105.19 106.54 3f5x n GLY 229 Ca 0.41 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.47 3f5x n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3f5x h VAL 230 N 0.00 0.25 0.00 1.61 -1.51 -1.63 -1.55 116.25 113.42 3f5x h VAL 230 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 3f5x h VAL 230 Cb 0.00 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.36 3f5x h VAL 230 CO 0.00 0.01 0.00 0.71 -1.23 0.00 0.00 177.57 177.06 3f5x h THR 231 N 0.04 0.00 -0.00 7.19 1.35 -1.93 -2.01 112.91 117.56 3f5x h THR 231 Ca 0.41 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3f5x h THR 231 Cb 0.70 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3f5x h THR 231 CO -0.76 0.00 -0.37 -1.20 -0.25 0.00 0.00 175.52 172.95 3f5x n SER 232 N -2.98 0.81 -4.77 5.36 7.64 -0.59 -4.89 113.62 114.20 3f5x n SER 232 Ca 0.01 -0.63 -0.37 0.00 1.01 0.00 0.00 58.87 58.89 3f5x n SER 232 Cb 0.28 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 3f5x n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3f5x s MET 233 N -2.71 3.87 0.21 1.43 -1.94 -0.76 -4.94 119.30 114.46 3f5x s MET 233 Ca 0.19 1.73 -0.13 0.00 -1.71 0.00 0.00 55.69 55.77 3f5x s MET 233 Cb 0.18 -2.47 0.25 0.00 2.01 0.00 0.00 34.83 34.81 3f5x s MET 233 CO 0.60 -0.45 1.64 -1.35 -0.01 0.00 0.00 175.02 175.45 3f5x h PRO 234 N 2.21 0.03 -0.65 2.03 0.11 -1.81 -1.77 132.00 132.15 3f5x h PRO 234 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3f5x h PRO 234 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3f5x h PRO 234 CO 0.61 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 3f5x n ASP 235 N -5.37 4.64 -4.74 -2.05 8.00 -1.10 -4.90 116.55 111.02 3f5x n ASP 235 Ca 0.08 -2.46 -0.41 0.00 0.71 0.00 0.00 54.79 52.71 3f5x n ASP 235 Cb 0.33 -0.58 -0.05 0.00 -0.02 0.00 0.00 41.12 40.81 3f5x n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3f5x s TYR 236 N -1.91 3.83 -0.04 1.24 6.14 -0.67 -4.88 117.35 121.06 3f5x s TYR 236 Ca 0.49 1.81 0.06 0.00 0.64 0.00 0.00 57.07 60.07 3f5x s TYR 236 Cb 0.32 -3.07 -0.01 0.00 0.42 0.00 0.00 41.96 39.62 3f5x s TYR 236 CO 0.23 0.15 -0.22 0.15 0.64 0.00 0.00 175.55 176.49 3f5x s LYS 237 N -0.53 2.16 0.52 4.97 1.02 -1.26 -4.92 119.74 121.70 3f5x s LYS 237 Ca 0.45 -0.80 0.29 0.00 0.02 0.00 0.00 55.97 55.93 3f5x s LYS 237 Cb -0.26 -1.90 1.38 0.00 -0.52 0.00 0.00 37.83 36.54 3f5x s LYS 237 CO 0.32 0.37 2.02 -1.35 -0.92 0.00 0.00 175.35 175.78 3f5x h PRO 238 N 6.01 0.00 0.00 -1.68 0.11 -1.97 -2.50 132.00 131.97 3f5x h PRO 238 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3f5x h PRO 238 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3f5x h PRO 238 CO 0.47 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 177.25 3f5x n SER 239 N -3.44 0.00 -4.65 -2.05 3.41 -1.26 -4.81 113.62 100.82 3f5x n SER 239 Ca -0.01 0.49 -0.48 0.00 -0.26 0.00 0.00 58.87 58.61 3f5x n SER 239 Cb 0.28 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 3f5x n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3f5x n PHE 240 N -1.49 2.09 -1.61 7.33 3.72 -0.94 -4.93 117.46 121.63 3f5x n PHE 240 Ca 0.03 0.34 -0.38 0.00 -0.05 0.00 0.00 57.45 57.38 3f5x n PHE 240 Cb 0.12 -2.50 0.04 0.00 -0.94 0.00 0.00 39.48 36.20 3f5x n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3f5x n PRO 241 N 3.53 0.99 -3.62 -1.08 -0.02 -1.26 -4.97 135.00 128.57 3f5x n PRO 241 Ca 0.18 0.37 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 3f5x n PRO 241 Cb 0.26 -2.12 -0.09 0.00 -0.02 0.00 0.00 33.50 31.54 3f5x n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3f5x s LYS 242 N -2.55 2.50 0.33 -0.52 1.02 -1.26 -4.80 119.74 114.47 3f5x s LYS 242 Ca 0.72 -2.02 -0.05 0.00 0.02 0.00 0.00 55.97 54.64 3f5x s LYS 242 Cb -0.45 -3.86 -0.05 0.00 -0.52 0.00 0.00 37.83 32.96 3f5x s LYS 242 CO 0.50 -1.17 0.61 -1.58 -0.92 0.00 0.00 175.35 172.78 3f5x s TRP 243 N 0.87 3.49 0.13 3.18 0.51 -1.26 -4.92 118.94 120.93 3f5x s TRP 243 Ca 0.10 0.69 -0.10 0.00 -2.12 0.00 0.00 56.10 54.67 3f5x s TRP 243 Cb -0.23 -2.15 -0.06 0.00 -0.81 0.00 0.00 33.47 30.22 3f5x s TRP 243 CO -0.03 0.08 0.45 0.00 -0.51 0.00 0.00 176.95 176.94 3f5x s ALA 244 N -2.22 3.68 0.10 0.98 0.00 -1.26 -1.89 121.76 121.14 3f5x s ALA 244 Ca 0.45 -0.34 -0.31 0.00 0.00 0.00 0.00 51.96 51.76 3f5x s ALA 244 Cb -0.10 -2.33 -0.08 0.00 0.00 0.00 0.00 23.12 20.61 3f5x s ALA 244 CO 0.32 0.55 1.47 0.50 0.00 0.00 0.00 175.76 178.60 3f5x s ARG 245 N -2.17 4.27 0.34 0.00 3.52 -1.26 -4.08 118.95 119.58 3f5x s ARG 245 Ca 0.37 2.15 0.04 0.00 -0.13 0.00 0.00 55.73 58.16 3f5x s ARG 245 Cb -0.13 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 3f5x s ARG 245 CO 0.20 -0.54 0.51 1.14 -0.81 0.00 0.00 175.30 175.79 3f5x s GLN 246 N 1.58 3.21 0.24 5.12 -2.07 -1.07 -4.92 119.66 121.76 3f5x s GLN 246 Ca 0.67 -0.75 -0.31 0.00 -1.82 0.00 0.00 55.36 53.15 3f5x s GLN 246 Cb -0.38 -2.75 -0.11 0.00 -1.09 0.00 0.00 33.01 28.68 3f5x s GLN 246 CO 0.30 0.07 1.61 -0.51 -1.32 0.00 0.00 175.29 175.44 3f5x s ASP 247 N -4.13 6.43 0.51 12.60 1.11 -1.26 -4.90 116.67 127.03 3f5x s ASP 247 Ca 0.43 2.85 0.26 0.00 0.18 0.00 0.00 52.55 56.27 3f5x s ASP 247 Cb -0.10 -2.62 1.35 0.00 1.07 0.00 0.00 42.92 42.63 3f5x s ASP 247 CO 0.33 -0.90 2.04 -0.26 1.18 0.00 0.00 175.17 177.56 3f5x h PHE 248 N 5.75 0.00 0.00 4.23 -1.00 -1.96 -2.09 116.94 121.87 3f5x h PHE 248 Ca -0.45 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.32 3f5x h PHE 248 Cb 1.21 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.77 3f5x h PHE 248 CO 0.61 0.14 -0.03 0.66 -1.61 0.00 0.00 178.31 178.09 3f5x h SER 249 N 0.00 0.00 0.00 2.17 4.64 -1.90 0.12 113.55 118.57 3f5x h SER 249 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3f5x h SER 249 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3f5x h SER 249 CO 0.02 0.03 -1.98 0.29 -0.87 0.00 0.00 176.83 174.31 3f5x n LYS 250 N -3.35 0.65 0.09 4.77 5.02 -0.82 -3.24 118.16 121.28 3f5x n LYS 250 Ca -0.02 -0.18 -0.22 0.00 -2.02 0.00 0.00 58.31 55.87 3f5x n LYS 250 Cb 0.14 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.52 3f5x n LYS 250 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3f5x h VAL 251 N 0.00 1.36 -2.08 -0.18 2.07 -1.08 -3.40 116.25 112.94 3f5x h VAL 251 Ca -0.04 -2.53 -0.57 0.00 0.82 0.00 0.00 66.70 64.38 3f5x h VAL 251 Cb 1.05 2.95 -0.40 0.00 -1.52 0.00 0.00 31.29 33.36 3f5x h VAL 251 CO 0.00 0.75 -0.89 1.33 0.02 0.00 0.00 177.57 178.78 3f5x n VAL 252 N -3.90 0.67 -0.29 2.57 0.24 0.36 -4.98 118.33 113.01 3f5x n VAL 252 Ca -0.15 -4.57 0.11 0.00 -2.04 0.00 0.00 64.34 57.70 3f5x n VAL 252 Cb 0.96 -1.95 0.26 0.00 -1.47 0.00 0.00 33.84 31.64 3f5x n VAL 252 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3f5x h PRO 253 N 4.01 0.24 0.00 7.34 0.11 -1.72 -2.50 132.00 139.48 3f5x h PRO 253 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3f5x h PRO 253 Cb 0.78 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3f5x h PRO 253 CO 0.63 0.16 0.00 -1.35 -0.21 0.00 0.00 178.00 177.22 3f5x h PRO 254 N 0.24 0.00 -6.89 1.05 0.11 -1.90 -3.45 132.00 121.17 3f5x h PRO 254 Ca 0.52 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 66.13 3f5x h PRO 254 Cb 1.00 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.14 3f5x h PRO 254 CO -0.61 0.00 0.48 -0.51 -0.21 0.00 0.00 178.00 177.15 3f5x s LEU 255 N -5.29 4.35 0.00 2.35 1.02 -0.94 -5.06 118.68 115.10 3f5x s LEU 255 Ca 0.03 2.27 -0.08 0.00 0.02 0.00 0.00 54.13 56.37 3f5x s LEU 255 Cb 0.09 -3.87 0.12 0.00 0.02 0.00 0.00 46.19 42.55 3f5x s LEU 255 CO 0.48 -0.40 0.69 -0.90 0.02 0.00 0.00 176.35 176.23 3f5x n ASP 256 N 0.55 0.11 -0.25 2.29 5.75 -1.26 -4.81 116.55 118.94 3f5x n ASP 256 Ca 0.02 -1.28 -0.06 0.00 -0.01 0.00 0.00 54.79 53.45 3f5x n ASP 256 Cb 0.46 -0.52 0.05 0.00 -1.03 0.00 0.00 41.12 40.08 3f5x n ASP 256 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3f5x h GLU 257 N 0.00 0.98 -0.44 0.11 4.39 -2.00 -2.25 114.58 115.37 3f5x h GLU 257 Ca -0.22 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.25 3f5x h GLU 257 Cb 0.63 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3f5x h GLU 257 CO 0.16 0.77 -0.07 -0.44 -1.16 0.00 0.00 179.01 178.28 3f5x h ASP 258 N 0.94 0.83 -0.60 1.42 3.32 -1.97 -2.54 116.42 117.81 3f5x h ASP 258 Ca 0.23 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.95 3f5x h ASP 258 Cb 0.11 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3f5x h ASP 258 CO -0.03 0.97 0.39 1.23 -1.72 0.00 0.00 179.24 180.08 3f5x h GLY 259 N 0.66 0.85 1.01 2.75 0.00 -1.89 -1.76 103.07 104.70 3f5x h GLY 259 Ca 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3f5x h GLY 259 CO 0.04 0.28 0.41 3.21 0.00 0.00 0.00 176.54 180.48 3f5x h ARG 260 N 0.78 1.03 -0.47 4.80 3.08 -1.37 -1.62 114.38 120.62 3f5x h ARG 260 Ca 0.23 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3f5x h ARG 260 Cb -0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 3f5x h ARG 260 CO -0.07 0.76 0.19 1.03 -1.07 0.00 0.00 179.97 180.82 3f5x h SER 261 N 1.02 0.64 -0.08 7.04 0.87 -1.18 -1.21 113.55 120.65 3f5x h SER 261 Ca 0.26 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3f5x h SER 261 Cb 0.03 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3f5x h SER 261 CO -0.04 0.63 0.03 0.25 -0.53 0.00 0.00 176.83 177.17 3f5x h LEU 262 N 0.61 0.10 -0.75 2.23 5.85 -1.18 -2.44 115.31 119.73 3f5x h LEU 262 Ca 0.16 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3f5x h LEU 262 Cb 0.18 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3f5x h LEU 262 CO -0.01 0.20 0.48 0.25 -0.34 0.00 0.00 178.44 179.02 3f5x h LEU 263 N -0.01 0.88 -1.02 2.25 5.85 -1.20 -0.96 115.31 121.10 3f5x h LEU 263 Ca 0.03 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3f5x h LEU 263 Cb 0.13 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3f5x h LEU 263 CO -0.00 0.66 0.11 0.77 -0.34 0.00 0.00 178.44 179.63 3f5x h SER 264 N 1.02 0.76 0.34 1.25 4.64 -1.18 -0.22 113.55 120.16 3f5x h SER 264 Ca 0.27 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 3f5x h SER 264 Cb -0.09 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 3f5x h SER 264 CO -0.06 0.76 -0.47 1.56 -0.87 0.00 0.00 176.83 177.75 3f5x h GLN 265 N 0.78 0.16 0.00 4.77 4.20 -0.93 -2.12 115.11 121.97 3f5x h GLN 265 Ca 0.17 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 3f5x h GLN 265 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3f5x h GLN 265 CO 0.00 0.60 -0.33 0.52 -0.67 0.00 0.00 178.83 178.95 3f5x h MET 266 N 0.13 0.00 -0.42 1.46 2.86 -0.58 -2.19 114.93 116.19 3f5x h MET 266 Ca 0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3f5x h MET 266 Cb 0.88 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 3f5x h MET 266 CO 0.07 0.33 0.02 1.28 1.06 0.00 0.00 176.91 179.67 3f5x n LEU 267 N -3.34 4.78 -4.74 1.22 4.77 -0.15 -4.03 117.00 115.51 3f5x n LEU 267 Ca 0.01 -3.05 -0.42 0.00 -0.03 0.00 0.00 56.01 52.53 3f5x n LEU 267 Cb 0.55 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3f5x n LEU 267 CO 0.36 0.70 1.28 1.57 -1.33 0.00 0.00 177.39 179.97 3f5x n HIS 268 N -0.11 2.85 -0.04 -1.77 -0.00 -0.81 -4.94 115.22 110.39 3f5x n HIS 268 Ca 0.26 0.20 -0.12 0.00 0.46 0.00 0.00 57.72 58.52 3f5x n HIS 268 Cb 1.06 -2.62 -0.06 0.00 -0.12 0.00 0.00 29.99 28.25 3f5x n HIS 268 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 3f5x h TYR 269 N 5.30 0.26 -2.97 1.57 0.05 -1.90 -3.42 116.97 115.87 3f5x h TYR 269 Ca -0.46 -0.04 -0.57 0.00 0.05 0.00 0.00 58.73 57.72 3f5x h TYR 269 Cb 1.22 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.85 3f5x h TYR 269 CO 0.60 0.43 1.05 0.34 -1.05 0.00 0.00 178.16 179.53 3f5x s ASP 270 N -5.69 6.51 -0.01 3.88 -1.08 -1.26 -4.82 116.67 114.21 3f5x s ASP 270 Ca -0.14 1.38 -0.00 0.00 -0.52 0.00 0.00 52.55 53.27 3f5x s ASP 270 Cb 0.06 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.97 3f5x s ASP 270 CO 0.71 -1.18 0.74 -0.81 0.52 0.00 0.00 175.17 175.15 3f5x n PRO 271 N 7.52 0.15 0.00 4.34 -0.04 -1.26 -1.79 135.00 143.92 3f5x n PRO 271 Ca 0.17 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3f5x n PRO 271 Cb 0.46 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 3f5x n PRO 271 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3f5x n LYS 273 N 3.06 0.00 -1.82 0.54 4.76 -1.26 -4.85 118.16 118.60 3f5x n LYS 273 Ca 0.03 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 3f5x n LYS 273 Cb 0.06 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.24 3f5x n LYS 273 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3f5x s ARG 274 N 0.00 4.15 0.38 1.97 3.52 -0.74 -4.92 118.95 123.32 3f5x s ARG 274 Ca 0.00 2.53 -0.27 0.00 -0.13 0.00 0.00 55.73 57.86 3f5x s ARG 274 Cb 0.00 -3.04 -0.11 0.00 -1.56 0.00 0.00 34.95 30.25 3f5x s ARG 274 CO 0.00 -0.59 1.43 1.51 -0.81 0.00 0.00 175.30 176.84 3f5x n ILE 275 N 2.15 2.14 -1.76 4.11 3.06 -0.83 -4.99 119.36 123.24 3f5x n ILE 275 Ca 0.08 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.52 3f5x n ILE 275 Cb 0.38 -1.87 0.03 0.00 0.54 0.00 0.00 39.64 38.72 3f5x n ILE 275 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3f5x s SER 276 N -0.23 5.86 0.19 9.51 1.04 -1.26 -4.88 113.70 123.94 3f5x s SER 276 Ca 0.55 1.52 -0.11 0.00 0.48 0.00 0.00 55.95 58.39 3f5x s SER 276 Cb -0.49 -2.48 0.18 0.00 0.10 0.00 0.00 66.02 63.33 3f5x s SER 276 CO 0.62 -1.12 1.80 0.00 0.98 0.00 0.00 173.24 175.53 3f5x h ALA 277 N -0.43 0.78 -0.24 5.32 0.00 -1.94 0.05 119.26 122.79 3f5x h ALA 277 Ca -0.44 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3f5x h ALA 277 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3f5x h ALA 277 CO 0.60 0.01 0.12 -0.22 0.00 0.00 0.00 179.25 179.75 3f5x h LYS 278 N 0.62 0.35 -0.54 0.00 3.64 -1.94 -1.72 116.57 116.98 3f5x h LYS 278 Ca 0.26 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3f5x h LYS 278 Cb 0.13 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3f5x h LYS 278 CO -0.16 0.34 0.12 0.00 -2.27 0.00 0.00 179.45 177.48 3f5x h ALA 279 N 0.99 1.19 -0.46 5.00 0.00 -1.91 -2.69 119.26 121.38 3f5x h ALA 279 Ca 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3f5x h ALA 279 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3f5x h ALA 279 CO -0.01 0.55 0.15 0.00 0.00 0.00 0.00 179.25 179.94 3f5x h ALA 280 N 1.32 1.41 0.00 0.00 0.00 -0.67 -2.65 119.26 118.67 3f5x h ALA 280 Ca 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3f5x h ALA 280 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3f5x h ALA 280 CO 0.00 0.44 -0.19 -0.07 0.00 0.00 0.00 179.25 179.43 3f5x h LEU 281 N 0.66 0.00 -0.70 0.00 3.38 -0.98 -2.20 115.31 115.47 3f5x h LEU 281 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3f5x h LEU 281 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3f5x h LEU 281 CO -0.01 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3f5x n ALA 282 N -2.39 2.54 -1.87 1.53 0.00 -1.00 -4.85 120.51 114.46 3f5x n ALA 282 Ca -0.02 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 3f5x n ALA 282 Cb 0.28 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 3f5x n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3f5x s HIS 283 N -1.84 3.63 0.14 0.00 5.04 -0.83 -4.91 115.29 116.52 3f5x s HIS 283 Ca 0.28 1.69 0.19 0.00 -1.54 0.00 0.00 55.06 55.68 3f5x s HIS 283 Cb 0.14 -3.25 1.06 0.00 0.04 0.00 0.00 32.58 30.57 3f5x s HIS 283 CO 0.22 -0.46 1.54 -1.00 -2.34 0.00 0.00 174.74 172.70 3f5x h PRO 284 N 4.35 0.00 -0.73 2.88 0.13 -1.91 -1.59 132.00 135.12 3f5x h PRO 284 Ca -0.46 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 3f5x h PRO 284 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 3f5x h PRO 284 CO 0.69 0.00 0.49 0.35 -0.23 0.00 0.00 178.00 179.30 3f5x h PHE 285 N 0.00 0.57 -0.55 1.56 3.57 -1.91 -2.66 116.94 117.51 3f5x h PHE 285 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3f5x h PHE 285 Cb 0.48 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3f5x h PHE 285 CO 0.00 0.24 0.00 1.19 -2.23 0.00 0.00 178.31 177.51 3f5x n PHE 286 N -4.49 1.03 1.55 0.41 3.72 -0.60 -4.49 117.46 114.59 3f5x n PHE 286 Ca 0.13 -0.45 0.09 0.00 -0.05 0.00 0.00 57.45 57.18 3f5x n PHE 286 Cb 0.43 -0.12 0.53 0.00 -0.94 0.00 0.00 39.48 39.39 3f5x n PHE 286 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3f5x n GLN 287 N 1.02 0.77 -1.19 -1.08 6.02 -1.01 -2.59 117.38 119.33 3f5x n GLN 287 Ca 0.20 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.22 3f5x n GLN 287 Cb 0.64 -1.36 0.01 0.00 1.02 0.00 0.00 30.24 30.55 3f5x n GLN 287 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3f5x n ASP 288 N -0.86 0.62 -4.77 1.08 5.75 -1.26 -5.11 116.55 111.99 3f5x n ASP 288 Ca 0.13 -1.98 -0.41 0.00 -0.01 0.00 0.00 54.79 52.52 3f5x n ASP 288 Cb 0.06 -0.24 -0.01 0.00 -1.03 0.00 0.00 41.12 39.90 3f5x n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3f5x s VAL 289 N 0.00 2.46 0.15 2.12 0.11 -1.07 -5.02 120.40 119.15 3f5x s VAL 289 Ca 0.23 0.46 0.01 0.00 -2.93 0.00 0.00 61.98 59.75 3f5x s VAL 289 Cb 0.26 -3.30 -0.00 0.00 -1.53 0.00 0.00 36.38 31.81 3f5x s VAL 289 CO -0.11 0.11 0.03 0.35 -3.33 0.00 0.00 175.10 172.14 3f5x n THR 290 N 0.69 0.00 -3.28 5.04 -2.24 -1.26 -5.08 114.28 108.15 3f5x n THR 290 Ca 0.00 -0.78 -0.25 0.00 -2.27 0.00 0.00 64.05 60.76 3f5x n THR 290 Cb 0.41 0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 3f5x n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3f5x n LYS 291 N -0.35 1.56 -0.93 -0.78 4.81 -1.26 -4.47 118.16 116.75 3f5x n LYS 291 Ca -0.04 -3.89 -0.30 0.00 -0.87 0.00 0.00 58.31 53.21 3f5x n LYS 291 Cb 0.20 -1.70 0.16 0.00 0.02 0.00 0.00 35.03 33.71 3f5x n LYS 291 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3f5x s PRO 292 N -1.85 0.97 -0.11 1.64 0.02 -1.26 -4.89 135.00 129.52 3f5x s PRO 292 Ca 0.38 1.13 -0.04 0.00 0.02 0.00 0.00 61.00 62.49 3f5x s PRO 292 Cb 0.17 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.90 3f5x s PRO 292 CO -0.07 -2.53 0.06 0.14 -0.33 0.00 0.00 177.00 174.27 3f5x s VAL 293 N -2.75 4.79 0.54 3.83 -7.23 -1.26 -4.41 120.40 113.90 3f5x s VAL 293 Ca 0.65 -0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.65 3f5x s VAL 293 Cb -0.21 -3.06 -0.05 0.00 0.56 0.00 0.00 36.38 33.63 3f5x s VAL 293 CO 0.58 0.59 0.93 -2.16 -0.31 0.00 0.00 175.10 174.74 3f5x s PRO 294 N -0.79 3.68 -0.89 4.82 0.04 -1.26 -5.00 135.00 135.60 3f5x s PRO 294 Ca 0.13 0.63 -0.19 0.00 0.04 0.00 0.00 61.00 61.60 3f5x s PRO 294 Cb -0.12 -2.20 0.12 0.00 0.04 0.00 0.00 34.50 32.34 3f5x s PRO 294 CO 0.03 -0.35 1.11 -1.58 0.04 0.00 0.00 177.00 176.25 3f5x s HIS 295 N -2.85 3.04 -0.34 0.56 2.46 -1.26 -4.99 115.29 111.92 3f5x s HIS 295 Ca 0.53 -1.26 -0.26 0.00 0.47 0.00 0.00 55.06 54.54 3f5x s HIS 295 Cb -0.11 -4.29 0.01 0.00 -0.13 0.00 0.00 32.58 28.06 3f5x s HIS 295 CO 0.44 -1.52 0.92 -0.51 -2.47 0.00 0.00 174.74 171.60 3f5x s LEU 296 N 2.94 4.01 -0.95 8.88 1.43 -1.26 -4.98 118.68 128.74 3f5x s LEU 296 Ca 0.32 0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 53.91 3f5x s LEU 296 Cb -0.06 -3.28 0.06 0.00 0.03 0.00 0.00 46.19 42.94 3f5x s LEU 296 CO -0.07 -0.78 1.36 -0.13 0.23 0.00 0.00 176.35 176.95 3f5x s ARG 297 N 3.35 3.51 0.00 1.70 0.52 -1.26 -5.15 118.95 121.62 3f5x s ARG 297 Ca 0.38 -1.07 0.27 0.00 -0.52 0.00 0.00 55.73 54.78 3f5x s ARG 297 Cb -0.13 -5.08 0.77 0.00 0.52 0.00 0.00 34.95 31.03 3f5x s ARG 297 CO 0.16 -2.12 1.59 1.28 0.02 0.00 0.00 175.30 176.22