#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h s ARG 3 N 0.00 2.92 -1.18 -0.52 3.52 -1.26 -5.03 118.95 117.39 3f1h s ARG 3 Ca 0.00 -1.00 -0.13 0.00 -0.13 0.00 0.00 55.73 54.47 3f1h s ARG 3 Cb 0.00 -3.58 0.19 0.00 -1.56 0.00 0.00 34.95 30.01 3f1h s ARG 3 CO 0.00 -0.60 1.36 0.00 -0.81 0.00 0.00 175.30 175.25 3f1h s ALA 4 N 1.52 4.17 0.99 6.12 0.00 -1.26 -5.02 121.76 128.28 3f1h s ALA 4 Ca 0.02 -3.47 -0.16 0.00 0.00 0.00 0.00 51.96 48.35 3f1h s ALA 4 Cb -0.18 -4.00 -0.06 0.00 0.00 0.00 0.00 23.12 18.87 3f1h s ALA 4 CO 0.05 -2.65 -0.33 1.63 0.00 0.00 0.00 175.76 174.46 3f1h n LYS 5 N 4.99 -0.24 0.20 0.00 5.02 -1.26 -4.88 118.16 121.99 3f1h n LYS 5 Ca 0.34 -0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.43 3f1h n LYS 5 Cb 0.42 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 3f1h n LYS 5 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3f1h h THR 6 N -1.31 0.45 0.00 -0.18 2.02 -2.05 -3.47 112.91 108.37 3f1h h THR 6 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3f1h h THR 6 Cb 1.31 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3f1h h THR 6 CO 0.28 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.78 3f1h n GLY 7 N -1.38 0.96 0.18 2.16 0.00 -1.26 -3.65 105.19 102.20 3f1h n GLY 7 Ca -0.09 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 3f1h n GLY 7 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f1h h VAL 8 N 0.00 1.33 -0.17 1.61 2.07 -2.03 -3.41 116.25 115.65 3f1h h VAL 8 Ca 0.00 -1.58 0.02 0.00 0.82 0.00 0.00 66.70 65.95 3f1h h VAL 8 Cb 0.00 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3f1h h VAL 8 CO 0.00 0.49 -0.10 0.52 0.02 0.00 0.00 177.57 178.50 3f1h n VAL 9 N -4.29 -0.12 -0.11 2.57 0.31 -1.24 -1.01 118.33 114.44 3f1h n VAL 9 Ca -0.06 0.75 -0.06 0.00 -0.01 0.00 0.00 64.34 64.96 3f1h n VAL 9 Cb 0.51 -0.96 0.02 0.00 -0.91 0.00 0.00 33.84 32.50 3f1h n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3f1h h ARG 10 N 0.00 0.25 -0.18 5.55 2.43 -1.82 -1.89 114.38 118.71 3f1h h ARG 10 Ca 0.03 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3f1h h ARG 10 Cb 0.07 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.50 3f1h h ARG 10 CO -0.16 0.16 -0.32 -0.09 -1.51 0.00 0.00 179.97 178.05 3f1h h ARG 11 N 0.25 -0.35 -0.75 0.20 2.43 -1.35 -1.28 114.38 113.53 3f1h h ARG 11 Ca 0.17 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.45 3f1h h ARG 11 Cb 0.17 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 3f1h h ARG 11 CO -0.19 -0.24 0.41 0.00 -1.51 0.00 0.00 179.97 178.44 3f1h h ARG 12 N -0.37 0.69 -0.58 0.20 3.08 -1.25 0.12 114.38 116.27 3f1h h ARG 12 Ca 0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3f1h h ARG 12 Cb 0.54 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3f1h h ARG 12 CO -0.38 0.45 0.28 -0.22 -1.07 0.00 0.00 179.97 179.03 3f1h h LYS 13 N 0.71 0.83 0.07 0.04 3.64 -0.75 0.30 116.57 121.41 3f1h h LYS 13 Ca 0.36 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3f1h h LYS 13 Cb 0.32 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3f1h h LYS 13 CO -0.24 0.67 -0.03 0.45 -2.27 0.00 0.00 179.45 178.03 3f1h h HIS 14 N 0.79 -0.09 -0.53 1.91 3.86 -0.12 -2.88 115.15 118.09 3f1h h HIS 14 Ca 0.20 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3f1h h HIS 14 Cb 0.11 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 3f1h h HIS 14 CO -0.00 0.17 0.34 -0.22 0.86 0.00 0.00 177.93 179.08 3f1h h LYS 15 N -0.35 0.71 -0.77 2.45 3.64 -0.64 0.16 116.57 121.77 3f1h h LYS 15 Ca -0.01 -0.05 0.18 0.00 -1.27 0.00 0.00 60.65 59.50 3f1h h LYS 15 Cb 0.30 -0.16 -0.13 0.00 -0.41 0.00 0.00 32.23 31.84 3f1h h LYS 15 CO 0.02 0.49 0.05 -0.22 -2.27 0.00 0.00 179.45 177.51 3f1h h LYS 16 N 0.72 0.13 -0.09 1.90 3.64 -0.90 -0.43 116.57 121.53 3f1h h LYS 16 Ca 0.19 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.33 3f1h h LYS 16 Cb -0.06 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3f1h h LYS 16 CO -0.04 0.08 -0.85 0.82 -2.27 0.00 0.00 179.45 177.19 3f1h h ILE 17 N 0.13 1.29 -0.21 2.00 2.04 -1.10 -3.22 117.51 118.44 3f1h h ILE 17 Ca 0.43 -2.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 3f1h h ILE 17 Cb 0.77 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 3f1h h ILE 17 CO -0.65 0.64 0.10 0.25 0.00 0.00 0.00 178.15 178.50 3f1h h LEU 18 N 0.44 0.25 0.24 1.44 5.85 0.71 0.07 115.31 124.32 3f1h h LEU 18 Ca -0.08 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3f1h h LEU 18 Cb 1.49 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.46 3f1h h LEU 18 CO 0.17 0.21 -0.12 0.11 -0.34 0.00 0.00 178.44 178.48 3f1h h LYS 19 N 0.29 -0.31 -1.57 1.25 1.57 -1.18 -2.88 116.57 113.74 3f1h h LYS 19 Ca 0.08 0.02 0.46 0.00 -1.87 0.00 0.00 60.65 59.34 3f1h h LYS 19 Cb 0.03 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 3f1h h LYS 19 CO -0.01 -0.11 1.11 -0.07 -0.57 0.00 0.00 179.45 179.80 3f1h h LEU 20 N -0.46 0.05 -2.10 2.94 -0.00 -1.00 0.25 115.31 115.00 3f1h h LEU 20 Ca -0.03 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3f1h h LEU 20 Cb 0.35 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 3f1h h LEU 20 CO 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 178.44 178.47 3f1h n ALA 21 N -2.80 2.42 -1.73 1.53 0.00 -1.03 -4.97 120.51 113.93 3f1h n ALA 21 Ca 0.36 -0.98 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 3f1h n ALA 21 Cb 1.62 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 3f1h n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3f1h n LYS 22 N 1.19 2.40 0.00 0.00 4.76 0.87 -2.22 118.16 125.16 3f1h n LYS 22 Ca 0.19 0.85 0.00 0.00 -2.87 0.00 0.00 58.31 56.48 3f1h n LYS 22 Cb 0.50 -2.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.17 3f1h n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f1h n GLY 23 N 0.95 3.19 3.77 0.72 0.00 -1.26 -5.04 105.19 107.53 3f1h n GLY 23 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3f1h n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3f1h n TYR 24 N -1.15 2.91 -1.72 1.61 0.53 -0.94 -4.89 117.16 113.51 3f1h n TYR 24 Ca 0.00 0.45 -0.41 0.00 -1.02 0.00 0.00 57.90 56.92 3f1h n TYR 24 Cb 0.00 -2.51 0.01 0.00 -1.03 0.00 0.00 39.34 35.81 3f1h n TYR 24 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 3f1h n TRP 25 N 0.26 2.30 -2.57 -0.72 -0.00 -1.26 -4.09 117.44 111.37 3f1h n TRP 25 Ca 0.02 0.49 0.00 0.00 -0.00 0.00 0.00 57.50 58.01 3f1h n TRP 25 Cb 0.39 -2.40 0.00 0.00 -0.00 0.00 0.00 31.31 29.30 3f1h n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3f1h n GLY 26 N 0.74 0.95 0.09 5.87 0.00 -1.26 -1.93 105.19 109.65 3f1h n GLY 26 Ca 0.06 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.53 3f1h n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3f1h n LEU 27 N 0.00 0.22 0.00 0.99 0.00 -1.26 -1.78 117.00 115.17 3f1h n LEU 27 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 56.01 56.51 3f1h n LEU 27 Cb 0.00 -0.48 0.06 0.00 0.00 0.00 0.00 43.42 43.00 3f1h n LEU 27 CO 0.00 -0.57 0.49 -1.14 0.00 0.00 0.00 177.39 176.17 3f1h n ARG 28 N -1.77 0.89 0.00 1.96 0.63 -0.81 -1.56 116.66 115.99 3f1h n ARG 28 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3f1h n ARG 28 Cb 0.20 -1.04 0.00 0.00 0.45 0.00 0.00 32.46 32.08 3f1h n ARG 28 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3f1h n SER 29 N -0.54 0.07 -0.08 6.15 3.41 -0.73 -3.71 113.62 118.19 3f1h n SER 29 Ca 0.02 -0.80 -0.10 0.00 -0.26 0.00 0.00 58.87 57.73 3f1h n SER 29 Cb 0.01 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 63.90 3f1h n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3f1h n LYS 30 N -0.02 0.51 -3.30 4.33 4.76 -0.97 -4.80 118.16 118.67 3f1h n LYS 30 Ca 0.00 0.08 -0.38 0.00 -2.87 0.00 0.00 58.31 55.14 3f1h n LYS 30 Cb 0.18 -1.31 -0.06 0.00 -1.84 0.00 0.00 35.03 32.00 3f1h n LYS 30 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3f1h s SER 31 N -5.41 6.65 0.15 4.39 1.04 -0.60 -4.97 113.70 114.94 3f1h s SER 31 Ca -0.20 0.77 -0.22 0.00 0.48 0.00 0.00 55.95 56.79 3f1h s SER 31 Cb 0.05 -2.29 0.04 0.00 0.10 0.00 0.00 66.02 63.93 3f1h s SER 31 CO 0.37 -0.04 1.63 0.15 0.98 0.00 0.00 173.24 176.32 3f1h h PHE 32 N 6.92 -0.60 -0.37 5.02 3.57 -1.92 -1.35 116.94 128.21 3f1h h PHE 32 Ca -0.39 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.18 3f1h h PHE 32 Cb 1.17 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 3f1h h PHE 32 CO 0.64 -0.31 0.17 0.00 -2.23 0.00 0.00 178.31 176.58 3f1h h ARG 33 N -0.22 0.34 -0.13 1.11 3.08 -1.95 0.83 114.38 117.45 3f1h h ARG 33 Ca 0.15 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3f1h h ARG 33 Cb 0.44 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3f1h h ARG 33 CO -0.40 0.22 -0.16 0.87 -1.07 0.00 0.00 179.97 179.43 3f1h h LYS 34 N 0.35 0.34 -0.36 0.04 1.79 -1.82 -2.57 116.57 114.34 3f1h h LYS 34 Ca 0.16 -0.19 0.07 0.00 -2.18 0.00 0.00 60.65 58.51 3f1h h LYS 34 Cb 0.09 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.68 3f1h h LYS 34 CO -0.12 0.76 -0.10 0.00 -1.08 0.00 0.00 179.45 178.91 3f1h h ALA 35 N 0.58 0.22 -0.27 3.86 0.00 -0.94 -1.07 119.26 121.65 3f1h h ALA 35 Ca 0.02 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3f1h h ALA 35 Cb 0.71 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3f1h h ALA 35 CO 0.04 -0.47 -0.25 -0.09 0.00 0.00 0.00 179.25 178.48 3f1h h ARG 36 N -0.01 -0.24 -0.78 0.00 2.43 -0.77 0.15 114.38 115.16 3f1h h ARG 36 Ca 0.17 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.54 3f1h h ARG 36 Cb 0.27 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 3f1h h ARG 36 CO -0.37 -0.16 0.53 0.93 -1.51 0.00 0.00 179.97 179.39 3f1h h GLU 37 N -0.25 0.30 -0.04 0.20 5.08 -0.91 -0.79 114.58 118.18 3f1h h GLU 37 Ca 0.14 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3f1h h GLU 37 Cb 0.47 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3f1h h GLU 37 CO -0.41 0.20 -0.26 1.15 -1.00 0.00 0.00 179.01 178.69 3f1h h THR 38 N 0.31 1.47 -0.30 1.13 2.02 0.45 -3.20 112.91 114.78 3f1h h THR 38 Ca 0.39 -1.75 0.05 0.00 0.77 0.00 0.00 66.41 65.87 3f1h h THR 38 Cb 1.07 2.48 -0.05 0.00 -1.74 0.00 0.00 68.15 69.91 3f1h h THR 38 CO -0.11 0.49 -0.01 -0.07 0.37 0.00 0.00 175.52 176.19 3f1h h LEU 39 N -0.32 -0.15 -0.77 2.58 3.38 0.34 0.56 115.31 120.92 3f1h h LEU 39 Ca -0.02 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3f1h h LEU 39 Cb 0.93 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 3f1h h LEU 39 CO 0.05 -0.04 -0.58 -0.26 0.09 0.00 0.00 178.44 177.71 3f1h h PHE 40 N 0.07 -1.82 -0.19 1.13 -1.00 -1.38 0.32 116.94 114.08 3f1h h PHE 40 Ca 0.15 0.11 0.05 0.00 2.81 0.00 0.00 57.97 61.09 3f1h h PHE 40 Cb 0.20 0.89 -0.06 0.00 3.61 0.00 0.00 35.95 40.60 3f1h h PHE 40 CO -0.24 -0.42 -0.21 0.00 -1.61 0.00 0.00 178.31 175.84 3f1h h ALA 41 N 0.30 -0.12 -0.77 2.45 0.00 -1.21 -2.13 119.26 117.79 3f1h h ALA 41 Ca 0.13 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3f1h h ALA 41 Cb 0.48 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3f1h h ALA 41 CO -0.81 -0.65 0.38 0.00 0.00 0.00 0.00 179.25 178.17 3f1h h ALA 42 N 0.80 0.99 -0.14 0.00 0.00 0.37 0.37 119.26 121.65 3f1h h ALA 42 Ca 0.12 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3f1h h ALA 42 Cb 0.42 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3f1h h ALA 42 CO -0.33 0.54 -0.25 0.78 0.00 0.00 0.00 179.25 180.00 3f1h h GLY 43 N 1.07 -0.26 1.21 0.00 0.00 0.03 0.31 103.07 105.43 3f1h h GLY 43 Ca 0.26 0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.86 3f1h h GLY 43 CO -0.04 -0.20 0.30 3.43 0.00 0.00 0.00 176.54 180.03 3f1h h ASN 44 N -0.31 0.93 0.84 0.19 -0.26 -0.69 -2.22 115.58 114.05 3f1h h ASN 44 Ca 0.10 -0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.68 3f1h h ASN 44 Cb 0.46 -0.24 0.01 0.00 -1.06 0.00 0.00 38.32 37.49 3f1h h ASN 44 CO -0.31 0.81 -0.43 1.88 -1.06 0.00 0.00 177.43 178.32 3f1h h TYR 45 N 1.00 -1.11 -0.31 1.19 0.99 0.58 -2.32 116.97 116.99 3f1h h TYR 45 Ca 0.24 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.98 3f1h h TYR 45 Cb 0.16 0.37 -0.06 0.00 1.00 0.00 0.00 36.73 38.20 3f1h h TYR 45 CO 0.01 -0.68 -0.42 0.00 -0.00 0.00 0.00 178.16 177.08 3f1h h ALA 46 N -1.41 -0.65 -0.82 3.88 0.00 -0.32 0.22 119.26 120.16 3f1h h ALA 46 Ca -0.12 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.03 3f1h h ALA 46 Cb 0.90 1.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 3f1h h ALA 46 CO 0.18 -0.85 0.61 -0.92 0.00 0.00 0.00 179.25 178.26 3f1h h TYR 47 N -0.29 0.00 0.00 0.00 3.20 -1.43 0.40 116.97 118.85 3f1h h TYR 47 Ca 0.06 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.69 3f1h h TYR 47 Cb 0.44 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3f1h h TYR 47 CO -0.70 0.00 -1.26 0.00 -1.64 0.00 0.00 178.16 174.56 3f1h h ALA 48 N 1.55 0.54 0.00 1.82 0.00 -0.41 -3.30 119.26 119.46 3f1h h ALA 48 Ca 0.39 -1.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 3f1h h ALA 48 Cb 1.60 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 3f1h h ALA 48 CO -0.00 1.34 -0.44 0.45 0.00 0.00 0.00 179.25 180.59 3f1h h HIS 49 N 0.00 0.00 0.23 0.00 3.86 0.28 -2.94 115.15 116.57 3f1h h HIS 49 Ca -0.12 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3f1h h HIS 49 Cb 1.84 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.30 3f1h h HIS 49 CO 0.00 0.36 -0.18 0.00 0.86 0.00 0.00 177.93 178.97 3f1h h ARG 50 N 0.00 -0.41 -0.23 2.45 3.08 -1.01 0.75 114.38 119.01 3f1h h ARG 50 Ca -0.01 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.13 3f1h h ARG 50 Cb 1.29 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 3f1h h ARG 50 CO 0.05 -0.27 0.22 0.87 -1.07 0.00 0.00 179.97 179.76 3f1h h LYS 51 N -0.42 0.00 0.00 0.04 1.79 -1.62 -2.02 116.57 114.34 3f1h h LYS 51 Ca -0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3f1h h LYS 51 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3f1h h LYS 51 CO -0.02 0.00 -0.01 0.00 -1.08 0.00 0.00 179.45 178.34 3f1h h ARG 52 N 0.00 0.01 -0.91 3.15 2.47 -0.97 -3.32 114.38 114.80 3f1h h ARG 52 Ca 0.11 -0.01 0.33 0.00 -1.26 0.00 0.00 59.98 59.15 3f1h h ARG 52 Cb 0.55 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.71 3f1h h ARG 52 CO -0.00 0.88 0.29 -2.13 0.56 0.00 0.00 179.97 179.57 3f1h n ARG 53 N -4.66 -0.06 0.01 0.04 0.63 0.25 0.16 116.66 113.02 3f1h n ARG 53 Ca -0.10 1.31 -0.02 0.00 -0.92 0.00 0.00 57.85 58.12 3f1h n ARG 53 Cb 0.43 -2.22 -0.01 0.00 0.45 0.00 0.00 32.46 31.10 3f1h n ARG 53 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3f1h h LYS 54 N 0.00 -0.08 -1.04 -0.14 6.56 -1.66 -2.65 116.57 117.57 3f1h h LYS 54 Ca 0.68 0.01 0.30 0.00 -1.06 0.00 0.00 60.65 60.57 3f1h h LYS 54 Cb 1.66 0.02 -0.13 0.00 -0.57 0.00 0.00 32.23 33.21 3f1h h LYS 54 CO -0.77 -0.05 0.63 0.00 -2.06 0.00 0.00 179.45 177.20 3f1h h ARG 55 N -0.08 0.39 0.08 3.15 3.08 0.14 0.14 114.38 121.28 3f1h h ARG 55 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3f1h h ARG 55 Cb 0.08 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3f1h h ARG 55 CO -0.03 0.26 -0.04 -0.44 -1.07 0.00 0.00 179.97 178.65 3f1h h ASP 56 N 0.40 -0.09 -0.09 7.04 3.32 -0.93 -2.11 116.42 123.96 3f1h h ASP 56 Ca 0.68 -0.16 -0.17 0.00 0.02 0.00 0.00 57.03 57.40 3f1h h ASP 56 Cb 1.58 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 41.15 3f1h h ASP 56 CO -0.48 0.10 -0.56 -0.26 -1.72 0.00 0.00 179.24 176.33 3f1h h PHE 57 N -0.29 0.85 -0.94 4.55 -1.00 -0.95 0.11 116.94 119.27 3f1h h PHE 57 Ca -0.01 -0.31 0.18 0.00 2.81 0.00 0.00 57.97 60.64 3f1h h PHE 57 Cb 0.24 -0.16 -0.17 0.00 3.61 0.00 0.00 35.95 39.47 3f1h h PHE 57 CO -0.01 1.08 -0.27 0.54 -1.61 0.00 0.00 178.31 178.03 3f1h n ARG 58 N -3.97 -0.12 -0.00 1.51 1.74 -0.06 -1.19 116.66 114.56 3f1h n ARG 58 Ca -0.04 1.47 -0.12 0.00 -0.77 0.00 0.00 57.85 58.39 3f1h n ARG 58 Cb 0.62 -2.19 -0.10 0.00 -1.02 0.00 0.00 32.46 29.77 3f1h n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f1h h ARG 59 N 0.00 -0.07 -0.82 5.56 3.08 -0.96 -3.06 114.38 118.11 3f1h h ARG 59 Ca 0.42 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.67 3f1h h ARG 59 Cb 0.65 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.59 3f1h h ARG 59 CO -0.96 0.51 0.13 1.25 -1.07 0.00 0.00 179.97 179.83 3f1h h LEU 60 N -0.74 -0.15 -0.57 3.04 6.46 0.20 0.35 115.31 123.90 3f1h h LEU 60 Ca -0.01 0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 57.87 3f1h h LEU 60 Cb 0.61 0.30 -0.02 0.00 -0.73 0.00 0.00 40.66 40.82 3f1h h LEU 60 CO 0.01 -0.16 0.06 -0.50 -0.62 0.00 0.00 178.44 177.23 3f1h h TRP 61 N 0.17 1.04 -0.64 1.25 6.55 -1.24 -2.96 115.95 120.12 3f1h h TRP 61 Ca 0.48 -0.16 0.06 0.00 0.95 0.00 0.00 58.89 60.23 3f1h h TRP 61 Cb 0.91 -0.28 -0.04 0.00 -0.86 0.00 0.00 29.16 28.89 3f1h h TRP 61 CO -0.34 0.92 0.43 0.82 -1.05 0.00 0.00 178.44 179.22 3f1h h ILE 62 N 0.86 1.00 -0.08 1.49 1.08 -0.24 0.62 117.51 122.24 3f1h h ILE 62 Ca 0.17 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 3f1h h ILE 62 Cb 0.47 0.31 -0.00 0.00 -3.07 0.00 0.00 36.82 34.53 3f1h h ILE 62 CO 0.02 0.12 -0.05 0.58 -0.69 0.00 0.00 178.15 178.13 3f1h h VAL 63 N 0.64 1.34 -0.37 1.67 2.07 -1.12 -1.10 116.25 119.37 3f1h h VAL 63 Ca 0.28 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.75 3f1h h VAL 63 Cb 0.28 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 3f1h h VAL 63 CO -0.09 0.31 0.11 0.03 0.02 0.00 0.00 177.57 177.95 3f1h h ARG 64 N -0.22 0.24 0.18 1.57 2.47 -1.26 0.20 114.38 117.57 3f1h h ARG 64 Ca 0.02 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3f1h h ARG 64 Cb 0.51 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 3f1h h ARG 64 CO 0.01 0.16 -0.11 0.82 0.56 0.00 0.00 179.97 181.41 3f1h h ILE 65 N 0.25 0.00 -0.08 2.04 2.04 -0.86 -0.58 117.51 120.32 3f1h h ILE 65 Ca 0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.06 3f1h h ILE 65 Cb 0.17 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3f1h h ILE 65 CO -0.20 0.00 0.51 -1.13 0.00 0.00 0.00 178.15 177.33 3f1h h ASN 66 N -0.27 0.00 0.13 1.72 -1.24 -1.14 0.68 115.58 115.46 3f1h h ASN 66 Ca -0.02 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 3f1h h ASN 66 Cb 0.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.27 3f1h h ASN 66 CO 0.02 0.00 -0.06 0.00 -1.29 0.00 0.00 177.43 176.10 3f1h h ALA 67 N 1.05 -0.48 0.00 1.57 0.00 0.64 -2.59 119.26 119.45 3f1h h ALA 67 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3f1h h ALA 67 Cb 1.06 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3f1h h ALA 67 CO -0.00 -0.46 -0.54 0.00 0.00 0.00 0.00 179.25 178.25 3f1h h ALA 68 N -1.75 1.02 0.00 0.00 0.00 -0.53 -1.40 119.26 116.61 3f1h h ALA 68 Ca -0.02 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3f1h h ALA 68 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3f1h h ALA 68 CO 0.03 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.94 3f1h h ARG 70 N 0.00 0.00 -0.20 0.00 2.43 -0.83 -2.68 114.38 113.10 3f1h h ARG 70 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3f1h h ARG 70 Cb 0.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3f1h h ARG 70 CO 0.00 0.82 -0.02 1.96 -1.51 0.00 0.00 179.97 181.22 3f1h h GLN 71 N 0.00 0.29 0.08 0.20 4.20 -1.35 -2.31 115.11 116.22 3f1h h GLN 71 Ca -0.04 -0.05 -0.26 0.00 0.06 0.00 0.00 58.65 58.36 3f1h h GLN 71 Cb 1.70 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.42 3f1h h GLN 71 CO 0.11 0.34 -1.24 0.45 -0.67 0.00 0.00 178.83 177.81 3f1h h HIS 72 N 0.29 0.31 0.00 2.96 3.86 -1.65 -3.48 115.15 117.43 3f1h h HIS 72 Ca 0.07 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3f1h h HIS 72 Cb 0.23 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3f1h h HIS 72 CO 0.00 1.20 0.00 0.41 0.86 0.00 0.00 177.93 180.40 3f1h n GLY 73 N 1.50 0.42 3.44 2.45 0.00 -0.87 -5.16 105.19 106.97 3f1h n GLY 73 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 3f1h n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3f1h s LEU 74 N 0.00 -0.29 0.57 0.99 2.34 -1.01 -5.03 118.68 116.25 3f1h s LEU 74 Ca 0.00 0.43 -0.19 0.00 0.06 0.00 0.00 54.13 54.42 3f1h s LEU 74 Cb 0.00 2.26 -0.04 0.00 -0.56 0.00 0.00 46.19 47.85 3f1h s LEU 74 CO 0.00 -0.65 1.22 0.20 -1.06 0.00 0.00 176.35 176.06 3f1h s ASN 75 N -1.55 5.31 0.30 1.48 0.02 -1.26 -3.65 114.94 115.59 3f1h s ASN 75 Ca -0.09 2.41 0.06 0.00 -1.02 0.00 0.00 52.86 54.22 3f1h s ASN 75 Cb -0.01 -2.60 0.77 0.00 0.02 0.00 0.00 41.25 39.43 3f1h s ASN 75 CO 0.04 -1.51 1.75 0.22 0.02 0.00 0.00 177.10 177.62 3f1h h TYR 76 N 1.07 0.98 0.51 2.20 3.20 -1.91 0.66 116.97 123.68 3f1h h TYR 76 Ca -0.50 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 3f1h h TYR 76 Cb 1.29 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3f1h h TYR 76 CO 0.47 0.14 -0.34 0.66 -1.64 0.00 0.00 178.16 177.46 3f1h h SER 77 N 0.65 -0.86 -0.33 -2.11 4.64 -2.00 0.29 113.55 113.83 3f1h h SER 77 Ca 0.59 0.05 0.05 0.00 -0.47 0.00 0.00 61.79 62.01 3f1h h SER 77 Cb 1.00 0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 3f1h h SER 77 CO -0.43 -0.52 0.08 0.74 -0.87 0.00 0.00 176.83 175.84 3f1h h THR 78 N -0.81 0.86 -0.55 2.95 2.02 -1.72 -2.27 112.91 113.39 3f1h h THR 78 Ca -0.06 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.11 3f1h h THR 78 Cb 0.67 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 3f1h h THR 78 CO 0.04 0.04 0.26 0.15 0.37 0.00 0.00 175.52 176.38 3f1h h PHE 79 N 0.20 0.48 0.31 3.16 3.57 -0.61 -2.11 116.94 121.94 3f1h h PHE 79 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3f1h h PHE 79 Cb 0.16 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3f1h h PHE 79 CO -0.17 0.21 -0.16 0.82 -2.23 0.00 0.00 178.31 176.78 3f1h h ILE 80 N 0.50 0.66 -1.18 1.41 5.03 -0.65 -1.59 117.51 121.70 3f1h h ILE 80 Ca 0.25 0.00 0.34 0.00 -0.12 0.00 0.00 64.86 65.33 3f1h h ILE 80 Cb 0.19 0.66 -0.07 0.00 -3.03 0.00 0.00 36.82 34.57 3f1h h ILE 80 CO -0.19 0.00 0.81 -0.74 -0.68 0.00 0.00 178.15 177.35 3f1h h HIS 81 N -0.44 0.30 0.00 1.37 2.76 -1.01 0.37 115.15 118.49 3f1h h HIS 81 Ca -0.04 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3f1h h HIS 81 Cb 0.35 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3f1h h HIS 81 CO -0.07 -0.00 0.00 0.41 -1.30 0.00 0.00 177.93 176.97 3f1h n GLY 82 N -1.64 -2.66 0.27 5.26 0.00 -0.61 -1.64 105.19 104.17 3f1h n GLY 82 Ca 0.28 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.50 3f1h n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3f1h h LEU 83 N 0.00 0.00 -0.36 0.99 4.07 -1.07 1.68 115.31 120.62 3f1h h LEU 83 Ca 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.77 3f1h h LEU 83 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3f1h h LEU 83 CO 0.00 0.10 -0.82 0.50 -1.08 0.00 0.00 178.44 177.14 3f1h h LYS 84 N 0.00 0.19 0.17 1.13 1.63 -1.03 -1.85 116.57 116.81 3f1h h LYS 84 Ca -0.00 -0.19 -0.35 0.00 -0.85 0.00 0.00 60.65 59.26 3f1h h LYS 84 Cb 0.30 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 3f1h h LYS 84 CO 0.01 0.91 -1.78 -0.22 -3.45 0.00 0.00 179.45 174.92 3f1h h LYS 85 N 0.11 0.36 -0.79 1.90 3.11 -0.16 -3.35 116.57 117.75 3f1h h LYS 85 Ca -0.03 -0.62 0.00 0.00 -2.81 0.00 0.00 60.65 57.18 3f1h h LYS 85 Cb 1.42 0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.89 3f1h h LYS 85 CO 0.12 1.30 0.00 0.00 -2.81 0.00 0.00 179.45 178.06 3f1h n ALA 86 N -2.90 2.26 0.00 5.00 0.00 0.56 -4.84 120.51 120.59 3f1h n ALA 86 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3f1h n ALA 86 Cb 1.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3f1h n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1h n GLY 87 N 0.10 2.52 3.56 0.00 0.00 -1.06 -4.92 105.19 105.38 3f1h n GLY 87 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3f1h n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3f1h s ILE 88 N -0.12 3.29 -1.49 -0.61 -4.36 -0.72 -4.68 121.20 112.51 3f1h s ILE 88 Ca 0.00 -0.17 0.04 0.00 -0.26 0.00 0.00 60.65 60.26 3f1h s ILE 88 Cb 0.00 -3.66 0.14 0.00 1.25 0.00 0.00 42.46 40.19 3f1h s ILE 88 CO 0.00 -0.63 0.95 -1.84 0.24 0.00 0.00 174.94 173.66 3f1h n GLU 89 N 8.90 1.53 0.00 0.37 0.28 -1.26 -4.39 120.64 126.07 3f1h n GLU 89 Ca 0.39 -0.57 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 3f1h n GLU 89 Cb 0.47 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 31.99 3f1h n GLU 89 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 3f1h n VAL 90 N 0.01 0.00 -1.69 3.84 3.14 -1.26 -4.53 118.33 117.84 3f1h n VAL 90 Ca 0.05 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.37 3f1h n VAL 90 Cb 0.26 -0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.04 3f1h n VAL 90 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3f1h n ASP 91 N 0.00 -0.87 -4.73 6.55 4.64 -1.26 -4.80 116.55 116.08 3f1h n ASP 91 Ca 0.00 -0.06 -0.42 0.00 -1.38 0.00 0.00 54.79 52.94 3f1h n ASP 91 Cb 0.00 -0.26 -0.03 0.00 -1.04 0.00 0.00 41.12 39.79 3f1h n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3f1h s ARG 92 N -0.85 4.21 0.22 -0.67 1.04 -1.26 -4.77 118.95 116.88 3f1h s ARG 92 Ca 0.05 2.38 0.12 0.00 -1.04 0.00 0.00 55.73 57.25 3f1h s ARG 92 Cb -0.01 -3.12 0.81 0.00 -2.04 0.00 0.00 34.95 30.59 3f1h s ARG 92 CO 0.14 -0.57 0.96 1.63 -0.04 0.00 0.00 175.30 177.43 3f1h n LYS 93 N 3.35 -0.04 -0.02 3.89 4.01 -1.26 0.13 118.16 128.22 3f1h n LYS 93 Ca 0.11 0.85 -0.12 0.00 -0.51 0.00 0.00 58.31 58.64 3f1h n LYS 93 Cb 0.39 -1.51 -0.06 0.00 -0.51 0.00 0.00 35.03 33.33 3f1h n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 3f1h h ASN 94 N 0.00 -1.33 0.13 4.39 -1.24 -1.93 -1.71 115.58 113.88 3f1h h ASN 94 Ca 0.51 0.18 0.00 0.00 0.71 0.00 0.00 56.30 57.70 3f1h h ASN 94 Cb 1.35 0.55 0.00 0.00 0.73 0.00 0.00 38.32 40.95 3f1h h ASN 94 CO -0.47 -0.42 0.00 0.18 -1.29 0.00 0.00 177.43 175.43 3f1h n LEU 95 N -5.43 0.00 -0.28 0.34 4.77 0.35 -0.90 117.00 115.84 3f1h n LEU 95 Ca -0.04 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3f1h n LEU 95 Cb 0.36 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3f1h n LEU 95 CO 0.11 -0.07 0.26 0.00 -1.33 0.00 0.00 177.39 176.35 3f1h n ALA 96 N -1.14 2.14 0.23 -1.18 0.00 -0.64 -2.76 120.51 117.15 3f1h n ALA 96 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.64 3f1h n ALA 96 Cb 0.08 -1.00 0.55 0.00 0.00 0.00 0.00 19.45 19.08 3f1h n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3f1h n ASP 97 N -0.14 0.58 0.23 0.00 5.75 -0.08 -2.27 116.55 120.63 3f1h n ASP 97 Ca 0.00 0.73 0.14 0.00 -0.01 0.00 0.00 54.79 55.65 3f1h n ASP 97 Cb 0.10 -0.82 0.59 0.00 -1.03 0.00 0.00 41.12 39.96 3f1h n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3f1h h LEU 98 N 0.00 0.00 -2.66 -2.12 3.38 -1.69 0.39 115.31 112.60 3f1h h LEU 98 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f1h h LEU 98 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3f1h h LEU 98 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3f1h h ALA 99 N 1.00 1.34 0.00 1.53 0.00 -1.71 -3.08 119.26 118.34 3f1h h ALA 99 Ca 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3f1h h ALA 99 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3f1h h ALA 99 CO -0.00 -0.00 -0.90 0.28 0.00 0.00 0.00 179.25 178.62 3f1h n VAL 100 N -3.56 1.48 -3.64 0.00 0.31 0.14 -4.54 118.33 108.51 3f1h n VAL 100 Ca -0.03 0.15 -0.38 0.00 -0.01 0.00 0.00 64.34 64.07 3f1h n VAL 100 Cb 0.08 -2.35 -0.06 0.00 -0.91 0.00 0.00 33.84 30.60 3f1h n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3f1h s ARG 101 N -2.72 3.76 -0.80 5.55 0.52 -1.23 -4.51 118.95 119.52 3f1h s ARG 101 Ca -0.25 0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 55.14 3f1h s ARG 101 Cb 0.04 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 3f1h s ARG 101 CO 0.38 0.70 0.68 0.39 0.02 0.00 0.00 175.30 177.47 3f1h n GLU 102 N 1.96 -3.06 -0.09 3.54 -0.58 -1.25 -4.25 120.64 116.91 3f1h n GLU 102 Ca -0.16 0.61 0.01 0.00 -0.42 0.00 0.00 57.16 57.20 3f1h n GLU 102 Cb 0.53 -4.73 0.31 0.00 -0.57 0.00 0.00 31.44 26.98 3f1h n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3f1h h PRO 103 N -1.04 0.73 -0.39 3.49 0.13 -1.77 -2.37 132.00 130.79 3f1h h PRO 103 Ca -0.43 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 64.67 3f1h h PRO 103 Cb 1.23 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 3f1h h PRO 103 CO 0.33 0.54 0.15 -0.56 -0.23 0.00 0.00 178.00 178.24 3f1h h GLN 104 N 0.74 0.31 -0.64 0.86 -0.00 -1.91 0.79 115.11 115.26 3f1h h GLN 104 Ca 0.19 -0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.88 3f1h h GLN 104 Cb 0.03 -0.07 -0.06 0.00 -0.00 0.00 0.00 27.48 27.39 3f1h h GLN 104 CO -0.03 0.20 0.34 0.28 -0.00 0.00 0.00 178.83 179.62 3f1h h VAL 105 N 0.32 0.94 -0.01 1.86 2.07 -1.80 0.31 116.25 119.94 3f1h h VAL 105 Ca 0.17 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3f1h h VAL 105 Cb 0.14 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3f1h h VAL 105 CO -0.16 0.11 -0.10 0.15 0.02 0.00 0.00 177.57 177.59 3f1h h PHE 106 N 0.62 -0.25 -0.73 1.57 3.57 -0.70 -2.03 116.94 118.99 3f1h h PHE 106 Ca 0.29 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.88 3f1h h PHE 106 Cb 0.21 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 3f1h h PHE 106 CO -0.09 -0.15 0.48 0.00 -2.23 0.00 0.00 178.31 176.32 3f1h h ALA 107 N 0.82 1.78 -0.53 2.41 0.00 0.18 0.26 119.26 124.18 3f1h h ALA 107 Ca 0.04 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3f1h h ALA 107 Cb 0.22 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3f1h h ALA 107 CO -0.11 0.09 0.23 0.93 0.00 0.00 0.00 179.25 180.39 3f1h h GLU 108 N 0.69 0.42 0.00 0.00 4.39 0.22 -1.09 114.58 119.20 3f1h h GLU 108 Ca 0.33 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.00 3f1h h GLU 108 Cb 0.37 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3f1h h GLU 108 CO -0.11 0.28 0.00 -0.07 -1.16 0.00 0.00 179.01 177.95 3f1h h LEU 109 N 0.43 0.00 0.15 1.33 3.38 0.12 -2.23 115.31 118.49 3f1h h LEU 109 Ca 0.25 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.94 3f1h h LEU 109 Cb 0.22 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.00 3f1h h LEU 109 CO -0.22 0.00 -1.16 0.58 0.09 0.00 0.00 178.44 177.73 3f1h h VAL 110 N 0.00 1.34 -0.02 1.22 2.07 0.09 -2.59 116.25 118.36 3f1h h VAL 110 Ca 0.00 -2.50 -0.21 0.00 0.82 0.00 0.00 66.70 64.81 3f1h h VAL 110 Cb 0.47 2.89 0.02 0.00 -1.52 0.00 0.00 31.29 33.14 3f1h h VAL 110 CO 0.00 0.74 -0.82 -0.33 0.02 0.00 0.00 177.57 177.19 3f1h h GLU 111 N 0.07 0.58 -0.80 1.57 4.39 -1.36 0.89 114.58 119.92 3f1h h GLU 111 Ca -0.19 -0.60 0.15 0.00 0.34 0.00 0.00 59.36 59.05 3f1h h GLU 111 Cb 1.87 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 30.59 3f1h h GLU 111 CO 0.22 1.22 0.36 0.00 -1.16 0.00 0.00 179.01 179.65 3f1h h ARG 112 N 0.19 0.50 0.43 2.33 2.47 -1.53 0.21 114.38 118.99 3f1h h ARG 112 Ca -0.10 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 3f1h h ARG 112 Cb 1.49 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 3f1h h ARG 112 CO 0.16 0.33 -0.21 0.00 0.56 0.00 0.00 179.97 180.82 3f1h h ALA 113 N 1.56 -0.58 -0.86 0.04 0.00 -1.35 -2.64 119.26 115.43 3f1h h ALA 113 Ca 0.44 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.39 3f1h h ALA 113 Cb 0.65 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 3f1h h ALA 113 CO -0.39 -0.58 0.30 0.87 0.00 0.00 0.00 179.25 179.45 3f1h h LYS 114 N -1.07 0.30 0.00 0.00 1.57 -0.51 -0.41 116.57 116.46 3f1h h LYS 114 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3f1h h LYS 114 Cb 0.53 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3f1h h LYS 114 CO 0.10 0.20 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 3f1h n ALA 115 N -2.60 -0.27 0.17 3.86 0.00 0.72 -3.11 120.51 119.29 3f1h n ALA 115 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.76 3f1h n ALA 115 Cb 0.63 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.69 3f1h n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1h h ALA 116 N -2.00 1.00 -0.41 0.00 0.00 -1.40 -1.37 119.26 115.08 3f1h h ALA 116 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3f1h h ALA 116 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3f1h h ALA 116 CO 0.00 -0.00 -0.26 0.37 0.00 0.00 0.00 179.25 179.36 3f1h h GLN 117 N 0.00 0.85 0.00 0.00 -0.00 -1.01 -3.44 115.11 111.51 3f1h h GLN 117 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 3f1h h GLN 117 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.46 3f1h h GLN 117 CO 0.00 1.01 0.00 0.41 0.00 0.00 0.00 178.83 180.25