#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h s GLU 2 N 0.00 2.60 -0.25 2.12 -1.05 -1.26 -3.91 118.70 116.95 3f1h s GLU 2 Ca 0.00 -1.09 -0.03 0.00 -0.15 0.00 0.00 54.97 53.70 3f1h s GLU 2 Cb 0.00 -2.62 0.13 0.00 -0.44 0.00 0.00 34.13 31.21 3f1h s GLU 2 CO 0.00 -0.57 0.38 0.00 0.95 0.00 0.00 175.26 176.02 3f1h s ALA 3 N -2.59 -1.09 1.00 -0.84 0.00 0.24 -4.96 121.76 113.52 3f1h s ALA 3 Ca 0.57 0.89 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 3f1h s ALA 3 Cb -0.09 -1.69 0.22 0.00 0.00 0.00 0.00 23.12 21.56 3f1h s ALA 3 CO 0.36 -1.28 1.32 1.63 0.00 0.00 0.00 175.76 177.79 3f1h n LYS 4 N 5.36 -1.28 0.00 0.00 5.02 -1.26 -0.74 118.16 125.26 3f1h n LYS 4 Ca -0.03 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.22 3f1h n LYS 4 Cb 0.50 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 3f1h n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f1h n ALA 5 N -3.85 0.00 -3.68 7.82 0.00 -1.19 -4.68 120.51 114.94 3f1h n ALA 5 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 3f1h n ALA 5 Cb 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.86 3f1h n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3f1h s ILE 6 N 0.00 0.39 -0.41 0.00 1.01 -1.26 -1.53 121.20 119.39 3f1h s ILE 6 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 3f1h s ILE 6 Cb 0.00 -0.46 0.05 0.00 0.01 0.00 0.00 42.46 42.06 3f1h s ILE 6 CO 0.00 0.20 0.28 0.00 0.00 0.00 0.00 174.94 175.42 3f1h s ALA 7 N 1.14 3.38 0.63 9.38 0.00 -0.77 -4.97 121.76 130.54 3f1h s ALA 7 Ca -0.08 -1.91 -0.08 0.00 0.00 0.00 0.00 51.96 49.89 3f1h s ALA 7 Cb -0.14 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.23 3f1h s ALA 7 CO -0.01 -1.54 0.97 1.03 0.00 0.00 0.00 175.76 176.21 3f1h s ARG 8 N 1.56 2.96 -1.24 0.00 0.52 -1.26 -1.60 118.95 119.89 3f1h s ARG 8 Ca 0.03 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.45 3f1h s ARG 8 Cb -0.21 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.08 3f1h s ARG 8 CO 0.06 -0.79 0.00 0.66 0.02 0.00 0.00 175.30 175.25 3f1h n TYR 9 N -2.73 -1.18 -2.14 -0.53 0.53 -0.98 -4.87 117.16 105.27 3f1h n TYR 9 Ca 0.05 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.50 3f1h n TYR 9 Cb 0.57 -2.94 -0.02 0.00 -1.03 0.00 0.00 39.34 35.92 3f1h n TYR 9 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3f1h s VAL 10 N -2.61 3.72 -1.05 -0.72 1.01 0.98 -4.75 120.40 116.98 3f1h s VAL 10 Ca 0.00 0.79 -0.24 0.00 0.00 0.00 0.00 61.98 62.53 3f1h s VAL 10 Cb 0.00 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 3f1h s VAL 10 CO 0.00 -0.37 2.01 -0.60 0.00 0.00 0.00 175.10 176.14 3f1h s ARG 11 N 4.81 2.22 -0.22 2.72 3.00 -1.26 -1.31 118.95 128.91 3f1h s ARG 11 Ca 0.71 -0.65 -0.29 0.00 -1.00 0.00 0.00 55.73 54.50 3f1h s ARG 11 Cb -0.23 -5.11 0.15 0.00 0.00 0.00 0.00 34.95 29.77 3f1h s ARG 11 CO 0.30 -4.10 1.14 -1.50 0.00 0.00 0.00 175.30 171.14 3f1h s ILE 12 N 12.06 0.00 0.34 4.11 2.07 -1.21 -4.99 121.20 133.58 3f1h s ILE 12 Ca 0.73 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.69 3f1h s ILE 12 Cb -0.04 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.44 3f1h s ILE 12 CO 0.09 0.00 1.36 -0.55 -1.91 0.00 0.00 174.94 173.93 3f1h s SER 13 N -0.88 6.66 0.05 4.50 0.15 -1.26 -3.21 113.70 119.71 3f1h s SER 13 Ca 0.03 2.78 -0.31 0.00 0.70 0.00 0.00 55.95 59.15 3f1h s SER 13 Cb -0.01 -2.65 -0.17 0.00 -1.71 0.00 0.00 66.02 61.48 3f1h s SER 13 CO -0.03 -0.63 1.47 -0.65 1.20 0.00 0.00 173.24 174.60 3f1h h PRO 14 N 3.38 -1.03 -1.09 5.44 0.11 -1.92 -2.80 132.00 134.08 3f1h h PRO 14 Ca -0.49 0.07 0.38 0.00 0.11 0.00 0.00 66.00 66.07 3f1h h PRO 14 Cb 1.23 0.23 -0.15 0.00 0.11 0.00 0.00 31.00 32.42 3f1h h PRO 14 CO 0.66 -0.69 0.64 0.00 -0.21 0.00 0.00 178.00 178.40 3f1h h ARG 15 N -1.07 0.15 0.44 1.05 3.08 -1.95 0.48 114.38 116.57 3f1h h ARG 15 Ca -0.10 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3f1h h ARG 15 Cb 0.84 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3f1h h ARG 15 CO 0.14 0.10 -0.21 0.87 -1.07 0.00 0.00 179.97 179.80 3f1h h LYS 16 N 0.15 -0.57 -0.00 0.04 1.57 -1.89 -3.23 116.57 112.63 3f1h h LYS 16 Ca 0.79 0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 59.42 3f1h h LYS 16 Cb 2.10 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 34.53 3f1h h LYS 16 CO -0.61 -0.30 -0.86 -0.39 -0.57 0.00 0.00 179.45 176.73 3f1h h VAL 17 N -0.78 1.48 -0.85 0.50 -1.51 -1.04 -3.13 116.25 110.92 3f1h h VAL 17 Ca -0.06 -2.56 0.24 0.00 -1.23 0.00 0.00 66.70 63.09 3f1h h VAL 17 Cb 0.54 2.42 -0.04 0.00 -2.13 0.00 0.00 31.29 32.09 3f1h h VAL 17 CO 0.10 0.75 0.61 -0.09 -1.23 0.00 0.00 177.57 177.70 3f1h h ARG 18 N 0.12 0.07 -0.62 5.19 2.43 -1.01 1.14 114.38 121.70 3f1h h ARG 18 Ca -0.04 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3f1h h ARG 18 Cb 1.48 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.98 3f1h h ARG 18 CO 0.13 0.05 0.29 -0.07 -1.51 0.00 0.00 179.97 178.86 3f1h h LEU 19 N 0.07 0.82 -0.14 3.80 4.07 -1.56 -1.81 115.31 120.57 3f1h h LEU 19 Ca 0.41 -0.14 -0.20 0.00 0.08 0.00 0.00 57.88 58.04 3f1h h LEU 19 Cb 1.53 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 43.07 3f1h h LEU 19 CO -0.04 0.73 -0.68 0.58 -1.08 0.00 0.00 178.44 177.95 3f1h h VAL 20 N 0.85 1.31 -0.05 1.22 2.07 0.11 -3.22 116.25 118.54 3f1h h VAL 20 Ca 0.21 -1.92 0.02 0.00 0.82 0.00 0.00 66.70 65.83 3f1h h VAL 20 Cb 0.13 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3f1h h VAL 20 CO -0.03 0.60 -0.04 0.58 0.02 0.00 0.00 177.57 178.70 3f1h h VAL 21 N 0.39 0.87 0.00 2.57 2.07 -1.13 -1.26 116.25 119.76 3f1h h VAL 21 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3f1h h VAL 21 Cb 1.31 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3f1h h VAL 21 CO 0.14 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.20 3f1h n ASP 22 N -5.16 0.00 0.01 0.57 10.43 -0.69 -0.08 116.55 121.63 3f1h n ASP 22 Ca -0.05 -0.01 0.07 0.00 2.57 0.00 0.00 54.79 57.36 3f1h n ASP 22 Cb 0.09 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 42.94 3f1h n ASP 22 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3f1h n LEU 23 N -0.91 0.35 -0.00 0.64 7.94 -0.48 -4.41 117.00 120.13 3f1h n LEU 23 Ca 0.00 0.14 0.05 0.00 -1.11 0.00 0.00 56.01 55.09 3f1h n LEU 23 Cb 0.00 0.06 -0.06 0.00 0.53 0.00 0.00 43.42 43.95 3f1h n LEU 23 CO 0.00 0.04 -0.20 2.30 -1.11 0.00 0.00 177.39 178.42 3f1h n ILE 24 N -2.53 0.00 -1.64 1.96 -5.35 0.88 -5.02 119.36 107.66 3f1h n ILE 24 Ca -0.08 -0.26 -0.46 0.00 -0.27 0.00 0.00 62.75 61.68 3f1h n ILE 24 Cb 0.69 0.78 -0.03 0.00 -1.74 0.00 0.00 39.64 39.33 3f1h n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3f1h n ARG 25 N -1.41 1.74 -3.43 6.28 0.63 -1.08 -2.12 116.66 117.27 3f1h n ARG 25 Ca 0.01 0.62 -0.17 0.00 -0.92 0.00 0.00 57.85 57.39 3f1h n ARG 25 Cb 0.18 -2.24 0.08 0.00 0.45 0.00 0.00 32.46 30.92 3f1h n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f1h n GLY 26 N 2.27 -0.51 3.19 5.14 0.00 -0.65 -5.01 105.19 109.62 3f1h n GLY 26 Ca 0.14 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 3f1h n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f1h s LYS 27 N -5.25 0.89 0.41 1.61 2.47 -0.90 -4.87 119.74 114.10 3f1h s LYS 27 Ca 0.09 -1.17 -0.25 0.00 -1.56 0.00 0.00 55.97 53.08 3f1h s LYS 27 Cb -0.01 -0.65 -0.11 0.00 -1.46 0.00 0.00 37.83 35.60 3f1h s LYS 27 CO 0.74 0.11 1.12 0.45 0.16 0.00 0.00 175.35 177.94 3f1h n SER 28 N 0.60 1.82 -0.06 1.43 2.88 -1.26 -1.52 113.62 117.51 3f1h n SER 28 Ca -0.16 1.08 -0.10 0.00 -1.33 0.00 0.00 58.87 58.36 3f1h n SER 28 Cb 0.57 -1.41 -0.03 0.00 -0.75 0.00 0.00 64.21 62.59 3f1h n SER 28 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3f1h h LEU 29 N 1.83 0.29 -1.16 2.46 5.85 -1.89 -1.28 115.31 121.41 3f1h h LEU 29 Ca -0.45 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 3f1h h LEU 29 Cb 1.32 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3f1h h LEU 29 CO 0.59 0.26 0.09 -0.08 -0.34 0.00 0.00 178.44 178.95 3f1h h GLU 30 N 0.30 0.67 -0.22 1.25 4.81 -1.90 -1.16 114.58 118.34 3f1h h GLU 30 Ca 0.09 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3f1h h GLU 30 Cb 0.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3f1h h GLU 30 CO -0.02 0.63 0.05 1.49 -0.73 0.00 0.00 179.01 180.44 3f1h h GLU 31 N 0.65 0.34 0.53 1.92 4.81 -1.85 -1.87 114.58 119.12 3f1h h GLU 31 Ca 0.15 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3f1h h GLU 31 Cb 0.28 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3f1h h GLU 31 CO 0.00 0.46 -0.50 0.00 -0.73 0.00 0.00 179.01 178.24 3f1h h ALA 32 N 0.87 -1.17 -1.00 2.92 0.00 -0.84 0.25 119.26 120.29 3f1h h ALA 32 Ca 0.07 -0.20 0.39 0.00 0.00 0.00 0.00 54.91 55.17 3f1h h ALA 32 Cb 0.27 0.72 -0.18 0.00 0.00 0.00 0.00 17.79 18.60 3f1h h ALA 32 CO 0.00 -1.19 0.47 0.00 0.00 0.00 0.00 179.25 178.53 3f1h h ARG 33 N -1.02 0.04 0.08 0.00 3.08 -1.16 0.40 114.38 115.80 3f1h h ARG 33 Ca -0.07 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3f1h h ARG 33 Cb 0.88 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3f1h h ARG 33 CO -0.04 0.03 -0.04 -0.91 -1.07 0.00 0.00 179.97 177.93 3f1h h ASN 34 N 0.04 -0.09 0.00 7.04 -0.26 -0.32 -2.22 115.58 119.77 3f1h h ASN 34 Ca 0.80 -0.36 0.00 0.00 -0.56 0.00 0.00 56.30 56.18 3f1h h ASN 34 Cb 2.04 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 39.32 3f1h h ASN 34 CO -0.77 0.33 0.00 -0.38 -1.06 0.00 0.00 177.43 175.54 3f1h n ILE 35 N -4.94 0.00 -0.33 2.81 5.41 0.12 -2.63 119.36 119.80 3f1h n ILE 35 Ca -0.08 1.29 -0.02 0.00 1.00 0.00 0.00 62.75 64.94 3f1h n ILE 35 Cb 0.23 -2.15 0.02 0.00 -0.71 0.00 0.00 39.64 37.04 3f1h n ILE 35 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3f1h n LEU 36 N -1.59 -0.58 -0.31 1.39 4.77 0.26 0.12 117.00 121.06 3f1h n LEU 36 Ca 0.00 1.48 0.23 0.00 -0.03 0.00 0.00 56.01 57.69 3f1h n LEU 36 Cb 0.00 -0.33 0.52 0.00 -2.33 0.00 0.00 43.42 41.29 3f1h n LEU 36 CO 0.00 -1.32 1.23 -0.09 -1.33 0.00 0.00 177.39 175.88 3f1h h ARG 37 N 0.00 0.36 -0.04 3.23 2.43 -1.33 -2.11 114.38 116.93 3f1h h ARG 37 Ca 0.28 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3f1h h ARG 37 Cb 0.49 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3f1h h ARG 37 CO -0.84 0.24 0.00 0.66 -1.51 0.00 0.00 179.97 178.52 3f1h n TYR 38 N -4.58 0.04 -2.91 2.20 0.53 0.32 -4.97 117.16 107.78 3f1h n TYR 38 Ca 0.24 -0.06 -0.40 0.00 -1.02 0.00 0.00 57.90 56.67 3f1h n TYR 38 Cb 0.87 -0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 39.13 3f1h n TYR 38 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 3f1h s THR 39 N -0.70 4.60 -1.19 -0.72 -1.32 0.56 -4.98 115.64 111.89 3f1h s THR 39 Ca 0.10 1.76 -0.14 0.00 -1.21 0.00 0.00 61.69 62.20 3f1h s THR 39 Cb 0.07 -4.18 0.16 0.00 -1.51 0.00 0.00 72.50 67.05 3f1h s THR 39 CO 0.10 0.38 1.43 0.21 -2.21 0.00 0.00 174.62 174.53 3f1h s ASN 40 N -0.23 7.03 -0.26 8.08 2.47 -1.26 -4.81 114.94 125.96 3f1h s ASN 40 Ca 0.40 -2.91 -0.22 0.00 0.42 0.00 0.00 52.86 50.55 3f1h s ASN 40 Cb -0.22 -2.41 0.07 0.00 -1.45 0.00 0.00 41.25 37.24 3f1h s ASN 40 CO 0.25 -0.79 0.69 -0.54 -3.72 0.00 0.00 177.10 173.00 3f1h s LYS 41 N 1.77 0.78 0.43 0.43 -0.14 -1.26 -5.01 119.74 116.74 3f1h s LYS 41 Ca 0.43 1.02 0.21 0.00 -1.36 0.00 0.00 55.97 56.27 3f1h s LYS 41 Cb -0.03 0.33 1.16 0.00 -1.68 0.00 0.00 37.83 37.62 3f1h s LYS 41 CO -0.00 -0.11 1.81 -0.09 -0.76 0.00 0.00 175.35 176.20 3f1h h ARG 42 N 5.52 0.33 0.00 1.68 2.43 -1.98 -0.37 114.38 121.98 3f1h h ARG 42 Ca -0.29 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 3f1h h ARG 42 Cb 1.18 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3f1h h ARG 42 CO 0.09 0.22 -0.15 0.78 -1.51 0.00 0.00 179.97 179.40 3f1h h GLY 43 N 0.33 0.00 0.10 2.80 0.00 -1.95 -2.75 103.07 101.61 3f1h h GLY 43 Ca 0.53 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.91 3f1h h GLY 43 CO -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 176.54 175.97 3f1h h ALA 44 N 1.85 -0.47 -0.94 3.60 0.00 -1.37 -1.64 119.26 120.29 3f1h h ALA 44 Ca -0.00 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3f1h h ALA 44 Cb 0.35 0.68 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 3f1h h ALA 44 CO 0.02 -0.85 -0.48 0.98 0.00 0.00 0.00 179.25 178.92 3f1h n TYR 45 N -5.42 -0.24 -0.02 0.00 9.36 -1.04 -0.06 117.16 119.74 3f1h n TYR 45 Ca -0.04 1.16 -0.13 0.00 3.32 0.00 0.00 57.90 62.22 3f1h n TYR 45 Cb 0.34 -0.68 -0.09 0.00 -0.63 0.00 0.00 39.34 38.28 3f1h n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3f1h h PHE 46 N 0.00 0.06 -0.95 2.98 0.04 -1.63 -1.53 116.94 115.91 3f1h h PHE 46 Ca 0.22 -0.02 0.10 0.00 2.80 0.00 0.00 57.97 61.07 3f1h h PHE 46 Cb 0.45 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 38.51 3f1h h PHE 46 CO -0.91 0.51 0.59 0.28 -0.60 0.00 0.00 178.31 178.18 3f1h h VAL 47 N -0.41 0.96 -0.04 -0.55 2.07 -0.43 -1.38 116.25 116.46 3f1h h VAL 47 Ca 0.00 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3f1h h VAL 47 Cb 0.50 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3f1h h VAL 47 CO 0.00 0.18 0.01 0.00 0.02 0.00 0.00 177.57 177.78 3f1h h ALA 48 N 1.49 0.05 -0.77 1.67 0.00 -0.42 0.15 119.26 121.44 3f1h h ALA 48 Ca 0.45 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.33 3f1h h ALA 48 Cb 0.37 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 3f1h h ALA 48 CO -0.24 -0.33 0.42 -0.22 0.00 0.00 0.00 179.25 178.88 3f1h h LYS 49 N -0.15 0.70 0.04 0.00 3.64 -0.50 0.30 116.57 120.61 3f1h h LYS 49 Ca 0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3f1h h LYS 49 Cb 0.22 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3f1h h LYS 49 CO -0.00 0.46 -0.02 -0.24 -2.27 0.00 0.00 179.45 177.38 3f1h h VAL 50 N 0.72 1.35 -1.15 2.00 3.04 -1.19 -2.06 116.25 118.95 3f1h h VAL 50 Ca 0.37 -1.47 0.39 0.00 -1.01 0.00 0.00 66.70 64.98 3f1h h VAL 50 Cb 0.34 2.29 -0.14 0.00 -2.01 0.00 0.00 31.29 31.77 3f1h h VAL 50 CO -0.24 0.36 0.70 0.25 -1.01 0.00 0.00 177.57 177.63 3f1h h LEU 51 N -0.72 0.35 0.23 3.16 7.12 -0.31 0.79 115.31 125.92 3f1h h LEU 51 Ca -0.01 0.17 -0.01 0.00 0.13 0.00 0.00 57.88 58.17 3f1h h LEU 51 Cb 0.63 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 3f1h h LEU 51 CO 0.01 -0.21 -0.11 -0.08 -0.13 0.00 0.00 178.44 177.92 3f1h h GLU 52 N 0.15 -0.30 0.00 1.25 4.57 -0.89 -3.06 114.58 116.30 3f1h h GLU 52 Ca 0.79 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.99 3f1h h GLU 52 Cb 2.20 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.86 3f1h h GLU 52 CO -0.53 -0.20 0.51 1.03 -1.18 0.00 0.00 179.01 178.64 3f1h h SER 53 N -0.49 0.00 0.13 1.04 0.87 -0.20 0.62 113.55 115.52 3f1h h SER 53 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3f1h h SER 53 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3f1h h SER 53 CO 0.05 0.00 -0.06 0.00 -0.53 0.00 0.00 176.83 176.29 3f1h h ALA 54 N 0.75 -0.18 -0.92 6.23 0.00 -0.94 -2.79 119.26 121.41 3f1h h ALA 54 Ca 0.00 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 54.87 3f1h h ALA 54 Cb 1.02 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 3f1h h ALA 54 CO 0.00 -0.21 0.52 0.00 0.00 0.00 0.00 179.25 179.56 3f1h h ALA 55 N -0.54 1.44 0.16 0.00 0.00 0.29 0.53 119.26 121.14 3f1h h ALA 55 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3f1h h ALA 55 Cb 0.46 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3f1h h ALA 55 CO 0.03 -0.03 -0.33 0.00 0.00 0.00 0.00 179.25 178.92 3f1h h ALA 56 N 1.58 -0.90 -0.91 0.00 0.00 -1.32 -0.48 119.26 117.24 3f1h h ALA 56 Ca 0.51 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.46 3f1h h ALA 56 Cb 0.70 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 3f1h h ALA 56 CO -0.35 -0.96 0.58 -0.91 0.00 0.00 0.00 179.25 177.61 3f1h h ASN 57 N -0.54 0.71 -0.99 0.00 -0.26 -0.88 0.14 115.58 113.76 3f1h h ASN 57 Ca -0.02 0.04 0.11 0.00 -0.56 0.00 0.00 56.30 55.88 3f1h h ASN 57 Cb 0.51 -0.10 -0.08 0.00 -1.06 0.00 0.00 38.32 37.59 3f1h h ASN 57 CO -0.14 0.36 0.63 0.00 -1.06 0.00 0.00 177.43 177.22 3f1h h ALA 58 N 1.59 1.53 0.03 -0.83 0.00 0.11 -2.10 119.26 119.59 3f1h h ALA 58 Ca 0.46 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.21 3f1h h ALA 58 Cb 0.67 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3f1h h ALA 58 CO -0.22 0.24 -0.91 0.28 0.00 0.00 0.00 179.25 178.64 3f1h h VAL 59 N 1.00 1.22 -0.27 0.00 2.07 0.77 -1.53 116.25 119.51 3f1h h VAL 59 Ca 0.48 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.71 3f1h h VAL 59 Cb 0.45 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3f1h h VAL 59 CO -0.24 0.51 0.00 0.59 0.02 0.00 0.00 177.57 178.45 3f1h n ASN 60 N -4.35 1.52 0.00 0.57 4.13 -0.33 -2.82 115.26 113.97 3f1h n ASN 60 Ca -0.23 -1.94 0.00 0.00 1.68 0.00 0.00 54.58 54.09 3f1h n ASN 60 Cb 0.68 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3f1h n ASN 60 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3f1h n ASN 61 N 0.31 0.00 -0.40 6.41 5.03 -0.80 -4.87 115.26 120.94 3f1h n ASN 61 Ca 0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.56 3f1h n ASN 61 Cb 0.25 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 3f1h n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3f1h n HIS 62 N 0.00 0.00 -3.38 3.10 8.25 -1.19 -5.03 115.22 116.98 3f1h n HIS 62 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3f1h n HIS 62 Cb 0.00 0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 3f1h n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3f1h n ASP 63 N 0.00 -0.25 -4.92 0.41 5.75 -1.00 -4.86 116.55 111.67 3f1h n ASP 63 Ca 0.00 -0.15 -0.26 0.00 -0.01 0.00 0.00 54.79 54.38 3f1h n ASP 63 Cb 0.61 -0.18 -0.00 0.00 -1.03 0.00 0.00 41.12 40.52 3f1h n ASP 63 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3f1h s MET 64 N -4.62 3.43 -0.25 0.11 1.00 -0.61 -5.00 119.30 113.36 3f1h s MET 64 Ca 0.04 -0.06 -0.21 0.00 0.00 0.00 0.00 55.69 55.45 3f1h s MET 64 Cb -0.02 -2.48 -0.02 0.00 0.00 0.00 0.00 34.83 32.32 3f1h s MET 64 CO 0.11 -0.14 0.68 -0.51 0.00 0.00 0.00 175.02 175.17 3f1h s LEU 65 N -4.60 4.07 0.58 -0.03 1.43 -1.26 -4.40 118.68 114.46 3f1h s LEU 65 Ca 0.46 0.80 0.32 0.00 -1.03 0.00 0.00 54.13 54.67 3f1h s LEU 65 Cb -0.10 -2.94 1.40 0.00 0.03 0.00 0.00 46.19 44.57 3f1h s LEU 65 CO 0.41 -0.40 1.73 -0.08 0.23 0.00 0.00 176.35 178.24 3f1h h GLU 66 N 7.81 0.00 0.00 1.70 4.81 -1.95 -0.21 114.58 126.75 3f1h h GLU 66 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3f1h h GLU 66 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3f1h h GLU 66 CO 0.80 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.83 3f1h n ASP 67 N -3.77 0.00 0.00 1.04 8.00 -1.26 -4.16 116.55 116.39 3f1h n ASP 67 Ca 0.18 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.51 3f1h n ASP 67 Cb 1.09 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.19 3f1h n ASP 67 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3f1h n ARG 68 N -0.90 0.20 -1.27 -1.24 1.85 -0.10 -5.04 116.66 110.16 3f1h n ARG 68 Ca 0.19 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.68 3f1h n ARG 68 Cb 0.09 -0.53 0.08 0.00 -1.05 0.00 0.00 32.46 31.05 3f1h n ARG 68 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 3f1h n LEU 69 N -0.61 1.82 -4.08 2.89 -0.00 -1.14 -2.74 117.00 113.15 3f1h n LEU 69 Ca 0.00 0.61 -0.11 0.00 -0.00 0.00 0.00 56.01 56.50 3f1h n LEU 69 Cb 0.03 -1.29 -0.06 0.00 -0.00 0.00 0.00 43.42 42.09 3f1h n LEU 69 CO 0.00 -2.72 0.06 -0.72 -0.00 0.00 0.00 177.39 174.01 3f1h s TYR 70 N -1.91 0.78 -1.02 1.47 -0.85 0.02 -3.36 117.35 112.47 3f1h s TYR 70 Ca 0.68 -1.06 -0.23 0.00 -0.52 0.00 0.00 57.07 55.94 3f1h s TYR 70 Cb -0.34 -0.09 0.03 0.00 0.38 0.00 0.00 41.96 41.94 3f1h s TYR 70 CO 0.56 -0.94 1.56 0.08 -1.52 0.00 0.00 175.55 175.28 3f1h s VAL 71 N -3.79 3.85 0.45 -3.49 1.01 -0.57 -1.21 120.40 116.65 3f1h s VAL 71 Ca 0.29 -0.78 0.17 0.00 0.00 0.00 0.00 61.98 61.66 3f1h s VAL 71 Cb 0.01 -4.89 0.21 0.00 0.00 0.00 0.00 36.38 31.71 3f1h s VAL 71 CO 0.13 -1.77 2.02 0.50 0.00 0.00 0.00 175.10 175.98 3f1h h LYS 72 N 9.88 0.00 0.00 2.72 3.64 -1.61 -1.73 116.57 129.47 3f1h h LYS 72 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3f1h h LYS 72 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3f1h h LYS 72 CO 1.39 0.16 0.00 0.00 -2.27 0.00 0.00 179.45 178.73 3f1h n ALA 73 N -2.46 0.00 -3.25 5.00 0.00 -1.08 -4.81 120.51 113.91 3f1h n ALA 73 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.45 3f1h n ALA 73 Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.64 3f1h n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1h s ALA 74 N -2.00 -3.14 0.24 0.00 0.00 -1.26 -0.20 121.76 115.41 3f1h s ALA 74 Ca 0.00 1.85 0.01 0.00 0.00 0.00 0.00 51.96 53.82 3f1h s ALA 74 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 3f1h s ALA 74 CO 0.00 -0.93 0.12 1.52 0.00 0.00 0.00 175.76 176.47 3f1h s TYR 75 N 2.06 1.40 -0.15 0.00 1.13 -0.93 -4.86 117.35 116.00 3f1h s TYR 75 Ca -0.01 -1.30 -0.04 0.00 -1.41 0.00 0.00 57.07 54.32 3f1h s TYR 75 Cb -0.02 -0.76 0.06 0.00 -1.10 0.00 0.00 41.96 40.15 3f1h s TYR 75 CO -0.16 -0.49 0.14 0.54 -2.51 0.00 0.00 175.55 173.06 3f1h s VAL 76 N -3.89 -0.19 0.19 -3.49 0.11 -1.26 -1.34 120.40 110.53 3f1h s VAL 76 Ca 0.38 -0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.44 3f1h s VAL 76 Cb 0.07 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 3f1h s VAL 76 CO 0.14 -0.15 0.34 -1.81 -3.33 0.00 0.00 175.10 170.29 3f1h s ASP 77 N 2.22 6.35 -0.17 3.54 1.01 -0.35 -4.90 116.67 124.36 3f1h s ASP 77 Ca 0.04 0.23 -0.23 0.00 0.71 0.00 0.00 52.55 53.30 3f1h s ASP 77 Cb -0.15 -1.93 -0.02 0.00 1.01 0.00 0.00 42.92 41.83 3f1h s ASP 77 CO -0.09 -0.01 0.73 -0.70 0.21 0.00 0.00 175.17 175.31 3f1h s GLU 78 N -3.43 4.28 0.80 8.23 2.12 -1.26 -0.65 118.70 128.79 3f1h s GLU 78 Ca 0.36 0.83 -0.07 0.00 0.36 0.00 0.00 54.97 56.44 3f1h s GLU 78 Cb -0.11 -3.56 0.14 0.00 0.26 0.00 0.00 34.13 30.87 3f1h s GLU 78 CO 0.29 -0.24 1.12 0.20 -0.54 0.00 0.00 175.26 176.09 3f1h s GLY 79 N 1.13 1.76 0.52 -1.50 0.00 -0.84 -4.89 107.32 103.50 3f1h s GLY 79 Ca 0.34 -1.40 -0.21 0.00 0.00 0.00 0.00 44.72 43.45 3f1h s GLY 79 CO 0.12 -0.79 0.92 -1.55 0.00 0.00 0.00 173.10 171.80 3f1h n PRO 80 N -3.19 1.05 -1.55 2.90 -0.04 -1.26 -4.24 135.00 128.67 3f1h n PRO 80 Ca 0.14 0.39 -0.30 0.00 -0.04 0.00 0.00 63.50 63.69 3f1h n PRO 80 Cb 0.60 -2.05 0.10 0.00 -0.04 0.00 0.00 33.50 32.12 3f1h n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3f1h s ALA 81 N -1.44 2.10 -0.37 0.55 0.00 -1.26 -4.15 121.76 117.18 3f1h s ALA 81 Ca 0.69 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.35 3f1h s ALA 81 Cb -0.48 -3.08 0.11 0.00 0.00 0.00 0.00 23.12 19.67 3f1h s ALA 81 CO 0.53 -1.91 0.15 -1.17 0.00 0.00 0.00 175.76 173.36 3f1h s LEU 82 N -5.86 2.99 -0.03 0.00 2.96 0.45 -4.96 118.68 114.23 3f1h s LEU 82 Ca 0.62 -2.16 -0.24 0.00 -0.22 0.00 0.00 54.13 52.13 3f1h s LEU 82 Cb -0.14 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 3f1h s LEU 82 CO 0.54 -0.35 0.72 -0.54 -1.32 0.00 0.00 176.35 175.40 3f1h s LYS 83 N 0.93 4.44 0.09 1.98 1.02 -1.26 0.45 119.74 127.40 3f1h s LYS 83 Ca 0.13 0.93 0.05 0.00 0.02 0.00 0.00 55.97 57.10 3f1h s LYS 83 Cb -0.21 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.65 3f1h s LYS 83 CO -0.12 0.15 -0.12 1.03 -0.92 0.00 0.00 175.35 175.37 3f1h s ARG 84 N 0.50 0.87 0.77 1.68 1.81 0.14 -4.95 118.95 119.77 3f1h s ARG 84 Ca 0.38 -1.10 -0.12 0.00 -1.72 0.00 0.00 55.73 53.17 3f1h s ARG 84 Cb -0.19 -0.71 0.05 0.00 -0.45 0.00 0.00 34.95 33.65 3f1h s ARG 84 CO 0.20 0.14 1.13 0.14 -0.68 0.00 0.00 175.30 176.22 3f1h s VAL 85 N -1.96 2.84 -0.42 3.52 -7.23 -1.26 0.28 120.40 116.17 3f1h s VAL 85 Ca 0.03 0.27 0.05 0.00 -1.81 0.00 0.00 61.98 60.53 3f1h s VAL 85 Cb -0.06 -3.22 0.17 0.00 0.56 0.00 0.00 36.38 33.83 3f1h s VAL 85 CO 0.02 -0.36 0.51 -0.22 -0.31 0.00 0.00 175.10 174.74 3f1h s LEU 86 N -5.53 -0.52 0.23 1.32 2.96 0.77 -4.55 118.68 113.36 3f1h s LEU 86 Ca 0.60 -1.62 -0.30 0.00 -0.22 0.00 0.00 54.13 52.59 3f1h s LEU 86 Cb -0.12 1.05 -0.15 0.00 0.50 0.00 0.00 46.19 47.47 3f1h s LEU 86 CO 0.51 -0.18 0.96 -2.65 -1.32 0.00 0.00 176.35 173.67 3f1h n PRO 87 N 3.83 0.98 -4.10 0.98 -0.02 -1.26 -3.31 135.00 132.09 3f1h n PRO 87 Ca 0.15 0.35 -0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3f1h n PRO 87 Cb 0.51 -1.68 -0.11 0.00 -0.02 0.00 0.00 33.50 32.19 3f1h n PRO 87 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3f1h s ARG 88 N -1.04 0.64 1.00 -0.52 6.06 -0.51 -4.92 118.95 119.66 3f1h s ARG 88 Ca 0.65 -1.00 -0.18 0.00 -2.50 0.00 0.00 55.73 52.71 3f1h s ARG 88 Cb -0.81 -0.21 -0.09 0.00 0.06 0.00 0.00 34.95 33.90 3f1h s ARG 88 CO 0.57 0.01 -0.55 0.00 -2.50 0.00 0.00 175.30 172.83 3f1h n ALA 89 N 0.81 -4.73 -0.52 6.12 0.00 -1.26 -1.95 120.51 118.98 3f1h n ALA 89 Ca -0.18 -0.81 -0.01 0.00 0.00 0.00 0.00 53.44 52.44 3f1h n ALA 89 Cb 0.57 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 3f1h n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3f1h n ARG 90 N 1.12 -1.70 -0.00 0.00 1.74 -1.26 -2.03 116.66 114.54 3f1h n ARG 90 Ca 0.00 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3f1h n ARG 90 Cb 0.59 -3.46 0.00 0.00 -1.02 0.00 0.00 32.46 28.57 3f1h n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f1h n GLY 91 N 0.11 0.10 3.66 -0.13 0.00 -0.82 -5.08 105.19 103.02 3f1h n GLY 91 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3f1h n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1h s ARG 92 N -1.00 0.73 -0.27 1.61 0.52 -0.86 -4.82 118.95 114.86 3f1h s ARG 92 Ca 0.00 0.96 -0.01 0.00 -0.52 0.00 0.00 55.73 56.16 3f1h s ARG 92 Cb 0.00 -1.74 0.14 0.00 0.52 0.00 0.00 34.95 33.87 3f1h s ARG 92 CO 0.00 -2.64 0.35 0.00 0.02 0.00 0.00 175.30 173.03 3f1h s ALA 93 N -2.78 -0.88 0.62 2.13 0.00 -1.26 -1.42 121.76 118.17 3f1h s ALA 93 Ca 0.65 0.28 -0.14 0.00 0.00 0.00 0.00 51.96 52.75 3f1h s ALA 93 Cb -0.20 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 3f1h s ALA 93 CO 0.59 -1.55 1.05 -0.51 0.00 0.00 0.00 175.76 175.34 3f1h s ASP 94 N 2.47 5.77 -0.34 0.00 -0.00 -1.21 -4.77 116.67 118.60 3f1h s ASP 94 Ca 0.10 1.68 -0.05 0.00 -0.00 0.00 0.00 52.55 54.28 3f1h s ASP 94 Cb -0.14 -2.51 0.04 0.00 -0.00 0.00 0.00 42.92 40.31 3f1h s ASP 94 CO -0.25 -1.17 0.09 0.27 -0.00 0.00 0.00 175.17 174.11 3f1h s ILE 95 N -2.75 3.63 -0.20 0.77 -4.36 -1.26 -0.16 121.20 116.86 3f1h s ILE 95 Ca 0.60 -1.21 -0.28 0.00 -0.26 0.00 0.00 60.65 59.50 3f1h s ILE 95 Cb -0.14 -3.07 0.00 0.00 1.25 0.00 0.00 42.46 40.50 3f1h s ILE 95 CO 0.44 -0.19 0.99 -0.51 0.24 0.00 0.00 174.94 175.91 3f1h s ILE 96 N 1.37 4.74 -0.36 8.37 1.10 0.79 -4.78 121.20 132.42 3f1h s ILE 96 Ca -0.02 1.94 -0.23 0.00 -0.51 0.00 0.00 60.65 61.83 3f1h s ILE 96 Cb -0.20 -4.27 0.01 0.00 0.15 0.00 0.00 42.46 38.15 3f1h s ILE 96 CO 0.02 -0.11 0.76 -0.54 -2.11 0.00 0.00 174.94 172.95 3f1h s LYS 97 N 2.82 3.76 -0.55 3.50 1.02 -1.26 0.27 119.74 129.30 3f1h s LYS 97 Ca 0.43 0.29 -0.20 0.00 0.02 0.00 0.00 55.97 56.51 3f1h s LYS 97 Cb -0.16 -3.80 0.06 0.00 -0.52 0.00 0.00 37.83 33.42 3f1h s LYS 97 CO 0.09 -0.81 0.73 0.15 -0.92 0.00 0.00 175.35 174.59 3f1h s LYS 98 N 3.01 3.15 0.96 1.68 1.02 0.17 -4.86 119.74 124.86 3f1h s LYS 98 Ca 0.30 -0.84 -0.16 0.00 0.02 0.00 0.00 55.97 55.29 3f1h s LYS 98 Cb -0.14 -4.13 0.19 0.00 -0.52 0.00 0.00 37.83 33.23 3f1h s LYS 98 CO 0.16 -1.39 1.28 1.03 -0.92 0.00 0.00 175.35 175.51 3f1h s ARG 99 N 3.03 0.70 0.19 1.68 0.52 -1.26 -0.41 118.95 123.40 3f1h s ARG 99 Ca 0.18 -0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 54.99 3f1h s ARG 99 Cb -0.19 -1.84 -0.00 0.00 0.52 0.00 0.00 34.95 33.44 3f1h s ARG 99 CO 0.12 -2.40 0.37 -0.08 0.02 0.00 0.00 175.30 173.34 3f1h s THR 100 N -3.75 0.04 0.02 0.02 -1.32 -1.24 -3.33 115.64 106.07 3f1h s THR 100 Ca 0.72 -1.29 0.02 0.00 -1.21 0.00 0.00 61.69 59.92 3f1h s THR 100 Cb -0.06 -1.90 -0.01 0.00 -1.51 0.00 0.00 72.50 69.02 3f1h s THR 100 CO 0.53 -0.18 -0.07 -0.44 -2.21 0.00 0.00 174.62 172.24 3f1h s SER 101 N -2.97 0.81 -0.26 8.08 0.01 -0.43 -1.98 113.70 116.98 3f1h s SER 101 Ca 0.18 -0.29 -0.05 0.00 1.31 0.00 0.00 55.95 57.10 3f1h s SER 101 Cb 0.02 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.21 3f1h s SER 101 CO 0.02 -0.03 0.01 -1.00 0.41 0.00 0.00 173.24 172.65 3f1h s HIS 102 N -0.63 3.06 -0.26 2.43 3.76 0.17 -0.01 115.29 123.82 3f1h s HIS 102 Ca -0.02 -1.03 -0.06 0.00 -0.15 0.00 0.00 55.06 53.80 3f1h s HIS 102 Cb -0.05 -2.16 -0.00 0.00 1.11 0.00 0.00 32.58 31.47 3f1h s HIS 102 CO 0.00 -0.58 0.03 0.42 -0.85 0.00 0.00 174.74 173.76 3f1h s ILE 103 N 1.47 3.76 -0.05 0.60 1.01 -0.63 -1.22 121.20 126.15 3f1h s ILE 103 Ca 0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 3f1h s ILE 103 Cb -0.16 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 3f1h s ILE 103 CO -0.01 0.24 0.08 -0.89 0.00 0.00 0.00 174.94 174.36 3f1h s THR 104 N 1.50 4.85 -0.10 2.92 2.01 -0.45 -1.84 115.64 124.53 3f1h s THR 104 Ca 0.04 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 3f1h s THR 104 Cb -0.16 -3.16 0.04 0.00 0.01 0.00 0.00 72.50 69.24 3f1h s THR 104 CO 0.00 0.47 0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 3f1h s VAL 105 N -1.09 -0.08 -0.15 3.82 1.01 -0.58 -2.19 120.40 121.13 3f1h s VAL 105 Ca 0.19 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 3f1h s VAL 105 Cb -0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 3f1h s VAL 105 CO 0.09 -0.03 -0.02 0.27 0.00 0.00 0.00 175.10 175.42 3f1h s ILE 106 N 2.15 4.07 0.13 2.22 -4.36 0.72 -3.15 121.20 122.98 3f1h s ILE 106 Ca 0.04 -0.30 0.05 0.00 -0.26 0.00 0.00 60.65 60.18 3f1h s ILE 106 Cb -0.14 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 3f1h s ILE 106 CO -0.06 0.50 0.07 -0.76 0.24 0.00 0.00 174.94 174.93 3f1h s LEU 107 N 0.18 3.63 0.04 0.37 1.02 0.08 -1.62 118.68 122.38 3f1h s LEU 107 Ca -0.01 -0.17 -0.02 0.00 0.02 0.00 0.00 54.13 53.96 3f1h s LEU 107 Cb -0.13 -2.29 -0.03 0.00 0.02 0.00 0.00 46.19 43.75 3f1h s LEU 107 CO 0.02 0.12 -0.00 -0.83 0.02 0.00 0.00 176.35 175.68 3f1h s GLY 108 N -2.74 0.37 0.36 -3.19 0.00 -0.35 -0.59 107.32 101.18 3f1h s GLY 108 Ca 0.29 -0.98 -0.28 0.00 0.00 0.00 0.00 44.72 43.74 3f1h s GLY 108 CO 0.21 -1.09 1.47 -0.54 0.00 0.00 0.00 173.10 173.15 3f1h s GLU 109 N -3.28 4.15 0.20 2.90 0.41 -1.25 -0.80 118.70 121.02 3f1h s GLU 109 Ca 0.01 2.51 -0.20 0.00 -0.41 0.00 0.00 54.97 56.88 3f1h s GLU 109 Cb 0.03 -2.99 0.15 0.00 -1.78 0.00 0.00 34.13 29.54 3f1h s GLU 109 CO -0.08 -0.49 1.58 -0.22 -0.49 0.00 0.00 175.26 175.56 3f1h h LYS 110 N 3.32 -0.12 0.00 1.61 1.63 -1.83 -3.45 116.57 117.73 3f1h h LYS 110 Ca -0.50 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 3f1h h LYS 110 Cb 1.23 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3f1h h LYS 110 CO 0.66 -0.08 0.00 -2.39 -3.45 0.00 0.00 179.45 174.19 3f1h n HIS 111 N -5.44 0.00 -1.65 1.91 1.44 -1.26 -4.97 115.22 105.24 3f1h n HIS 111 Ca 0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 3f1h n HIS 111 Cb 0.37 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.48 3f1h n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94