#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h s ILE 2 N 0.00 4.77 0.21 3.17 1.09 -0.11 -4.83 121.20 125.50 3f1h s ILE 2 Ca 0.00 0.94 -0.05 0.00 -1.10 0.00 0.00 60.65 60.44 3f1h s ILE 2 Cb 0.00 -3.76 -0.03 0.00 -1.06 0.00 0.00 42.46 37.62 3f1h s ILE 2 CO 0.00 0.19 0.24 0.00 -0.10 0.00 0.00 174.94 175.27 3f1h s GLN 3 N -2.07 1.29 0.28 2.79 -2.07 -1.26 -0.41 119.66 118.20 3f1h s GLN 3 Ca 0.41 -1.49 -0.29 0.00 -1.82 0.00 0.00 55.36 52.17 3f1h s GLN 3 Cb -0.15 0.33 -0.14 0.00 -1.09 0.00 0.00 33.01 31.97 3f1h s GLN 3 CO 0.20 -0.46 1.18 -0.35 -1.32 0.00 0.00 175.29 174.53 3f1h n PRO 4 N -0.29 1.67 0.00 9.60 -0.04 -1.26 -1.56 135.00 143.12 3f1h n PRO 4 Ca 0.00 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 3f1h n PRO 4 Cb 0.65 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 3f1h n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3f1h n GLN 5 N 1.02 0.00 -2.41 0.54 -0.06 0.23 -4.94 117.38 111.75 3f1h n GLN 5 Ca 0.09 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.68 3f1h n GLN 5 Cb 0.32 -0.47 -0.03 0.00 -4.06 0.00 0.00 30.24 26.00 3f1h n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3f1h s THR 6 N -2.34 3.78 -0.20 1.69 2.01 -0.60 -4.68 115.64 115.31 3f1h s THR 6 Ca 0.00 1.42 -0.21 0.00 0.31 0.00 0.00 61.69 63.21 3f1h s THR 6 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 3f1h s THR 6 CO 0.00 0.19 0.64 -0.31 -0.69 0.00 0.00 174.62 174.44 3f1h s TYR 7 N 0.32 3.38 0.23 4.92 1.51 -1.26 -0.14 117.35 126.31 3f1h s TYR 7 Ca 0.54 0.94 0.03 0.00 -1.01 0.00 0.00 57.07 57.57 3f1h s TYR 7 Cb -0.31 -2.81 -0.03 0.00 -0.11 0.00 0.00 41.96 38.70 3f1h s TYR 7 CO 0.34 -0.17 0.38 -0.51 -1.11 0.00 0.00 175.55 174.47 3f1h s LEU 8 N 1.91 4.26 -0.12 -1.29 2.01 0.11 -4.80 118.68 120.75 3f1h s LEU 8 Ca 0.29 0.21 -0.11 0.00 0.01 0.00 0.00 54.13 54.52 3f1h s LEU 8 Cb -0.16 -2.99 -0.05 0.00 0.01 0.00 0.00 46.19 43.00 3f1h s LEU 8 CO 0.10 -0.07 0.24 -0.70 1.01 0.00 0.00 176.35 176.93 3f1h s GLU 9 N -3.75 3.94 -0.29 1.70 2.56 0.33 -2.66 118.70 120.52 3f1h s GLU 9 Ca 0.36 0.04 -0.25 0.00 0.00 0.00 0.00 54.97 55.11 3f1h s GLU 9 Cb -0.10 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.72 3f1h s GLU 9 CO 0.30 0.50 0.88 0.08 -0.56 0.00 0.00 175.26 176.45 3f1h s VAL 10 N -0.29 4.73 -0.38 3.70 1.01 -0.86 -1.56 120.40 126.74 3f1h s VAL 10 Ca 0.16 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.58 3f1h s VAL 10 Cb -0.13 -4.22 0.46 0.00 0.00 0.00 0.00 36.38 32.49 3f1h s VAL 10 CO 0.05 -0.27 1.78 0.00 0.00 0.00 0.00 175.10 176.66 3f1h n ALA 11 N 6.34 5.08 -3.78 5.51 0.00 -0.95 -4.89 120.51 127.82 3f1h n ALA 11 Ca 0.06 -2.29 -0.06 0.00 0.00 0.00 0.00 53.44 51.16 3f1h n ALA 11 Cb 0.48 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 3f1h n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3f1h s ASP 12 N -0.76 -0.24 0.00 0.00 3.84 -1.26 -1.33 116.67 116.92 3f1h s ASP 12 Ca 0.44 -0.46 0.00 0.00 -0.00 0.00 0.00 52.55 52.53 3f1h s ASP 12 Cb 0.37 0.60 0.00 0.00 -1.38 0.00 0.00 42.92 42.50 3f1h s ASP 12 CO 0.06 -1.09 0.45 -0.46 -0.00 0.00 0.00 175.17 174.13 3f1h n ASN 13 N -0.45 1.04 -0.19 2.11 0.23 -1.24 -3.99 115.26 112.76 3f1h n ASN 13 Ca -0.06 -1.55 0.30 0.00 -0.53 0.00 0.00 54.58 52.75 3f1h n ASN 13 Cb 0.60 -0.39 0.68 0.00 -2.08 0.00 0.00 39.78 38.59 3f1h n ASN 13 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3f1h h THR 14 N 0.04 0.26 0.00 5.53 2.02 -1.91 -3.44 112.91 115.41 3f1h h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3f1h h THR 14 Cb 0.45 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3f1h h THR 14 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3f1h n GLY 15 N -1.68 2.24 3.76 2.16 0.00 -1.26 -3.16 105.19 107.26 3f1h n GLY 15 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3f1h n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1h s ALA 16 N -2.27 3.37 -0.20 4.61 0.00 -1.26 0.13 121.76 126.14 3f1h s ALA 16 Ca 0.00 0.51 0.16 0.00 0.00 0.00 0.00 51.96 52.64 3f1h s ALA 16 Cb 0.00 -3.11 -0.24 0.00 0.00 0.00 0.00 23.12 19.77 3f1h s ALA 16 CO 0.00 0.24 0.05 0.54 0.00 0.00 0.00 175.76 176.58 3f1h n ARG 17 N 1.42 0.77 -3.76 0.00 5.12 -0.37 -4.63 116.66 115.22 3f1h n ARG 17 Ca -0.03 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.77 3f1h n ARG 17 Cb 0.48 -1.51 -0.11 0.00 -1.16 0.00 0.00 32.46 30.16 3f1h n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3f1h s LYS 18 N -2.48 0.35 0.01 5.56 1.02 -1.01 -2.03 119.74 121.15 3f1h s LYS 18 Ca -0.12 0.45 0.03 0.00 0.02 0.00 0.00 55.97 56.36 3f1h s LYS 18 Cb 0.06 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.50 3f1h s LYS 18 CO 0.79 -0.06 -0.08 0.96 -0.92 0.00 0.00 175.35 176.04 3f1h s ILE 19 N 0.32 0.66 0.03 2.17 -0.00 -1.09 -1.39 121.20 121.89 3f1h s ILE 19 Ca -0.01 -0.56 -0.12 0.00 -0.00 0.00 0.00 60.65 59.96 3f1h s ILE 19 Cb -0.03 -0.59 -0.06 0.00 -0.00 0.00 0.00 42.46 41.78 3f1h s ILE 19 CO -0.01 0.04 0.38 -0.32 -0.00 0.00 0.00 174.94 175.03 3f1h s MET 20 N -0.57 3.80 0.17 0.37 -2.45 -0.43 0.05 119.30 120.24 3f1h s MET 20 Ca 0.00 0.25 -0.30 0.00 -1.25 0.00 0.00 55.69 54.39 3f1h s MET 20 Cb -0.05 -3.11 -0.08 0.00 1.25 0.00 0.00 34.83 32.85 3f1h s MET 20 CO 0.00 0.63 1.20 0.00 1.05 0.00 0.00 175.02 177.91 3f1h n ILE 22 N 2.68 1.33 -3.79 0.00 2.08 0.21 -0.60 119.36 121.27 3f1h n ILE 22 Ca 0.05 -0.28 -0.13 0.00 0.56 0.00 0.00 62.75 62.95 3f1h n ILE 22 Cb 0.45 -1.87 -0.13 0.00 -0.75 0.00 0.00 39.64 37.34 3f1h n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3f1h s ARG 23 N -2.47 0.21 -0.33 0.38 6.06 -0.99 -4.66 118.95 117.14 3f1h s ARG 23 Ca -0.33 0.31 -0.23 0.00 -2.50 0.00 0.00 55.73 52.98 3f1h s ARG 23 Cb 0.12 0.05 0.00 0.00 0.06 0.00 0.00 34.95 35.18 3f1h s ARG 23 CO 0.42 -0.06 0.79 0.54 -2.50 0.00 0.00 175.30 174.49 3f1h s VAL 24 N 0.35 4.76 -0.21 7.11 0.11 -1.26 -1.30 120.40 129.97 3f1h s VAL 24 Ca -0.02 1.05 0.01 0.00 -2.93 0.00 0.00 61.98 60.09 3f1h s VAL 24 Cb -0.03 -4.18 0.23 0.00 -1.53 0.00 0.00 36.38 30.87 3f1h s VAL 24 CO -0.01 -0.33 1.58 0.18 -3.33 0.00 0.00 175.10 173.18 3f1h n LEU 25 N 6.31 5.07 0.00 2.54 4.77 -0.62 -4.69 117.00 130.38 3f1h n LEU 25 Ca 0.03 -2.60 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 3f1h n LEU 25 Cb 0.48 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3f1h n LEU 25 CO 0.52 0.87 0.00 0.29 -1.33 0.00 0.00 177.39 177.74 3f1h n LYS 26 N 0.08 0.06 0.00 3.23 5.02 -1.26 -4.82 118.16 120.47 3f1h n LYS 26 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3f1h n LYS 26 Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.84 3f1h n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f1h n GLY 27 N 5.00 -3.45 0.00 0.72 0.00 -1.26 -4.85 105.19 101.35 3f1h n GLY 27 Ca 0.00 -1.21 0.15 0.00 0.00 0.00 0.00 46.02 44.95 3f1h n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3f1h n SER 28 N -0.93 0.00 -1.95 1.61 3.41 -1.26 -4.21 113.62 110.29 3f1h n SER 28 Ca 0.00 -0.94 -0.01 0.00 -0.26 0.00 0.00 58.87 57.66 3f1h n SER 28 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3f1h n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3f1h n ASN 29 N -0.99 -0.47 -4.72 4.04 0.23 -1.26 -5.14 115.26 106.94 3f1h n ASN 29 Ca 0.22 -1.30 -0.42 0.00 -0.53 0.00 0.00 54.58 52.55 3f1h n ASN 29 Cb 0.10 0.36 -0.03 0.00 -2.08 0.00 0.00 39.78 38.13 3f1h n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3f1h s ALA 30 N 0.02 3.58 0.06 -2.53 0.00 -1.26 -4.94 121.76 116.69 3f1h s ALA 30 Ca 0.02 1.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 3f1h s ALA 30 Cb 0.06 -3.53 -0.17 0.00 0.00 0.00 0.00 23.12 19.49 3f1h s ALA 30 CO -0.02 -0.61 1.59 0.87 0.00 0.00 0.00 175.76 177.60 3f1h h LYS 31 N 6.28 -0.24 -4.83 0.00 6.56 -1.96 -3.46 116.57 118.92 3f1h h LYS 31 Ca -0.43 0.02 -0.42 0.00 -1.06 0.00 0.00 60.65 58.76 3f1h h LYS 31 Cb 1.21 0.05 -0.14 0.00 -0.57 0.00 0.00 32.23 32.79 3f1h h LYS 31 CO 0.83 -0.07 -0.52 0.71 -2.06 0.00 0.00 179.45 178.34 3f1h s TYR 32 N -5.72 1.62 -0.06 -1.35 1.51 -1.26 -4.70 117.35 107.38 3f1h s TYR 32 Ca -0.14 -1.58 -0.04 0.00 -1.01 0.00 0.00 57.07 54.30 3f1h s TYR 32 Cb 0.04 -0.70 0.03 0.00 -0.11 0.00 0.00 41.96 41.23 3f1h s TYR 32 CO 0.64 -0.79 0.15 0.00 -1.11 0.00 0.00 175.55 174.44 3f1h s ALA 33 N -3.61 -0.32 0.00 3.71 0.00 0.45 -4.94 121.76 117.05 3f1h s ALA 33 Ca 0.40 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3f1h s ALA 33 Cb 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.77 3f1h s ALA 33 CO 0.23 -0.12 0.00 -2.37 0.00 0.00 0.00 175.76 173.50 3f1h n THR 34 N 3.74 0.00 -1.55 0.00 5.66 -1.26 -0.94 114.28 119.93 3f1h n THR 34 Ca -0.21 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.35 3f1h n THR 34 Cb 0.55 -0.67 -0.01 0.00 -1.55 0.00 0.00 70.33 68.65 3f1h n THR 34 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3f1h n VAL 35 N -0.47 2.05 0.00 1.08 0.24 -1.26 -1.77 118.33 118.19 3f1h n VAL 35 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3f1h n VAL 35 Cb 0.00 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 3f1h n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f1h n GLY 36 N 1.38 2.54 3.86 7.63 0.00 -0.01 -4.90 105.19 115.69 3f1h n GLY 36 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3f1h n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f1h s ASP 37 N -2.35 6.59 0.10 1.61 1.01 -0.73 -4.83 116.67 118.08 3f1h s ASP 37 Ca 0.00 1.30 0.03 0.00 0.71 0.00 0.00 52.55 54.59 3f1h s ASP 37 Cb 0.00 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 3f1h s ASP 37 CO 0.00 -0.43 0.12 0.68 0.21 0.00 0.00 175.17 175.75 3f1h s VAL 38 N -2.40 4.69 -0.01 -1.27 -7.23 -1.26 -1.16 120.40 111.76 3f1h s VAL 38 Ca 0.54 -0.79 -0.09 0.00 -1.81 0.00 0.00 61.98 59.84 3f1h s VAL 38 Cb -0.10 -3.31 0.01 0.00 0.56 0.00 0.00 36.38 33.54 3f1h s VAL 38 CO 0.29 0.06 0.19 0.27 -0.31 0.00 0.00 175.10 175.60 3f1h s ILE 39 N -1.51 0.07 0.21 -0.62 -4.36 -0.17 -1.59 121.20 113.22 3f1h s ILE 39 Ca 0.31 -0.56 -0.26 0.00 -0.26 0.00 0.00 60.65 59.88 3f1h s ILE 39 Cb -0.12 -0.46 -0.08 0.00 1.25 0.00 0.00 42.46 43.05 3f1h s ILE 39 CO 0.24 -0.31 0.83 -0.69 0.24 0.00 0.00 174.94 175.24 3f1h s VAL 40 N -1.21 4.31 0.11 8.37 1.01 -0.42 -0.95 120.40 131.63 3f1h s VAL 40 Ca -0.13 1.74 -0.15 0.00 0.00 0.00 0.00 61.98 63.44 3f1h s VAL 40 Cb -0.06 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.23 3f1h s VAL 40 CO 0.02 0.42 0.38 0.00 0.00 0.00 0.00 175.10 175.92 3f1h s ALA 41 N -1.27 -0.86 -0.13 5.51 0.00 0.19 0.64 121.76 125.84 3f1h s ALA 41 Ca 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.25 3f1h s ALA 41 Cb -0.22 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 3f1h s ALA 41 CO 0.26 -0.61 -0.03 0.45 0.00 0.00 0.00 175.76 175.84 3f1h s SER 42 N -2.72 4.93 -0.52 0.00 0.15 -0.03 -0.38 113.70 115.14 3f1h s SER 42 Ca 0.02 -0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.35 3f1h s SER 42 Cb 0.02 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 3f1h s SER 42 CO -0.11 0.23 1.65 -0.69 1.20 0.00 0.00 173.24 175.53 3f1h s VAL 43 N -0.02 3.58 -0.44 4.45 1.01 -0.65 -1.31 120.40 127.02 3f1h s VAL 43 Ca 0.02 0.48 0.23 0.00 0.00 0.00 0.00 61.98 62.71 3f1h s VAL 43 Cb -0.13 -4.08 0.11 0.00 0.00 0.00 0.00 36.38 32.28 3f1h s VAL 43 CO 0.02 -0.89 1.30 0.11 0.00 0.00 0.00 175.10 175.65 3f1h h LYS 44 N 12.76 0.00 -1.83 2.72 1.79 -1.58 0.98 116.57 131.40 3f1h h LYS 44 Ca -0.28 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3f1h h LYS 44 Cb 1.13 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.57 3f1h h LYS 44 CO 1.15 0.00 0.31 -1.83 -1.08 0.00 0.00 179.45 178.00 3f1h s GLU 45 N -3.25 0.83 0.05 3.15 -1.05 -1.10 -4.93 118.70 112.39 3f1h s GLU 45 Ca 0.04 0.39 -0.23 0.00 -0.15 0.00 0.00 54.97 55.02 3f1h s GLU 45 Cb 0.10 0.39 0.05 0.00 -0.44 0.00 0.00 34.13 34.24 3f1h s GLU 45 CO 0.73 -0.22 0.54 0.00 0.95 0.00 0.00 175.26 177.26 3f1h s ALA 46 N -0.73 -1.38 0.46 -0.84 0.00 -1.26 -1.23 121.76 116.78 3f1h s ALA 46 Ca -0.05 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 3f1h s ALA 46 Cb -0.02 0.39 -0.07 0.00 0.00 0.00 0.00 23.12 23.42 3f1h s ALA 46 CO 0.04 -0.51 1.34 0.42 0.00 0.00 0.00 175.76 177.05 3f1h s ILE 47 N -2.43 2.37 0.39 0.00 1.09 0.12 -4.88 121.20 117.87 3f1h s ILE 47 Ca -0.05 0.31 -0.24 0.00 -1.10 0.00 0.00 60.65 59.57 3f1h s ILE 47 Cb -0.01 -3.17 -0.12 0.00 -1.06 0.00 0.00 42.46 38.10 3f1h s ILE 47 CO -0.02 0.03 0.78 -2.65 -0.10 0.00 0.00 174.94 172.98 3f1h n PRO 48 N -0.34 0.92 -3.98 2.79 -0.02 -1.26 -2.72 135.00 130.39 3f1h n PRO 48 Ca 0.06 0.33 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 3f1h n PRO 48 Cb 0.44 -1.72 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 3f1h n PRO 48 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3f1h n ARG 49 N 0.44 -1.11 -1.94 -0.52 1.85 -1.26 -4.91 116.66 109.21 3f1h n ARG 49 Ca 0.11 0.11 -0.29 0.00 -1.00 0.00 0.00 57.85 56.78 3f1h n ARG 49 Cb 0.38 -4.34 0.08 0.00 -1.05 0.00 0.00 32.46 27.53 3f1h n ARG 49 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3f1h s GLY 50 N -2.87 1.61 0.25 2.89 0.00 -1.10 -4.94 107.32 103.16 3f1h s GLY 50 Ca 0.64 -0.62 0.20 0.00 0.00 0.00 0.00 44.72 44.94 3f1h s GLY 50 CO 0.79 -0.16 1.60 0.00 0.00 0.00 0.00 173.10 175.32 3f1h n ALA 51 N -3.19 1.30 -2.95 3.20 0.00 -1.19 -4.64 120.51 113.03 3f1h n ALA 51 Ca 0.08 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.53 3f1h n ALA 51 Cb 0.60 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 3f1h n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3f1h s VAL 52 N -3.38 0.05 0.29 0.00 1.01 -1.20 -5.05 120.40 112.12 3f1h s VAL 52 Ca 0.01 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3f1h s VAL 52 Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 3f1h s VAL 52 CO 0.25 -0.21 0.21 -0.54 0.00 0.00 0.00 175.10 174.80 3f1h s LYS 53 N -0.64 2.73 0.60 2.72 3.01 -1.26 -4.57 119.74 122.33 3f1h s LYS 53 Ca -0.07 -1.23 -0.19 0.00 -1.01 0.00 0.00 55.97 53.47 3f1h s LYS 53 Cb -0.04 -2.45 -0.04 0.00 -1.01 0.00 0.00 37.83 34.29 3f1h s LYS 53 CO -0.00 0.26 1.09 0.39 0.51 0.00 0.00 175.35 177.60 3f1h n GLU 54 N -1.22 1.06 0.00 1.68 1.02 -1.26 -1.92 120.64 120.00 3f1h n GLU 54 Ca -0.05 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 3f1h n GLU 54 Cb 0.59 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 3f1h n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f1h n GLY 55 N 1.13 2.64 3.67 0.62 0.00 0.34 -4.94 105.19 108.65 3f1h n GLY 55 Ca 0.14 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.68 3f1h n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f1h n ASP 56 N 0.00 2.99 -4.67 1.61 10.43 -0.81 -4.70 116.55 121.40 3f1h n ASP 56 Ca 0.00 1.05 -0.40 0.00 2.57 0.00 0.00 54.79 58.01 3f1h n ASP 56 Cb 0.00 -1.36 -0.05 0.00 1.84 0.00 0.00 41.12 41.55 3f1h n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3f1h s VAL 57 N 2.05 5.01 0.10 2.53 1.01 -1.26 -1.64 120.40 128.20 3f1h s VAL 57 Ca 0.85 1.30 -0.04 0.00 0.00 0.00 0.00 61.98 64.09 3f1h s VAL 57 Cb -0.74 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 31.62 3f1h s VAL 57 CO 0.45 0.12 0.11 0.68 0.00 0.00 0.00 175.10 176.46 3f1h s VAL 58 N 1.74 0.14 0.02 2.92 -7.23 0.49 -4.97 120.40 113.51 3f1h s VAL 58 Ca 0.32 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3f1h s VAL 58 Cb -0.16 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 3f1h s VAL 58 CO 0.12 -0.63 0.10 -0.54 -0.31 0.00 0.00 175.10 173.84 3f1h s LYS 59 N -3.95 3.08 0.29 4.82 1.02 -1.26 0.55 119.74 124.28 3f1h s LYS 59 Ca 0.13 -0.51 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 3f1h s LYS 59 Cb 0.06 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 3f1h s LYS 59 CO -0.05 0.63 0.41 0.00 -0.92 0.00 0.00 175.35 175.42 3f1h n ALA 60 N 0.97 -0.36 -3.73 5.17 0.00 -0.13 -0.69 120.51 121.75 3f1h n ALA 60 Ca -0.11 -1.29 -0.17 0.00 0.00 0.00 0.00 53.44 51.87 3f1h n ALA 60 Cb 0.52 1.04 -0.17 0.00 0.00 0.00 0.00 19.45 20.84 3f1h n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3f1h s VAL 61 N -2.71 -0.00 0.16 0.00 0.11 -0.83 -1.00 120.40 116.12 3f1h s VAL 61 Ca 0.23 0.25 -0.32 0.00 -2.93 0.00 0.00 61.98 59.21 3f1h s VAL 61 Cb -0.01 -0.16 -0.10 0.00 -1.53 0.00 0.00 36.38 34.58 3f1h s VAL 61 CO 0.16 0.14 1.56 -0.69 -3.33 0.00 0.00 175.10 172.94 3f1h s VAL 62 N 1.42 2.66 0.00 2.04 1.01 -0.31 -2.11 120.40 125.10 3f1h s VAL 62 Ca -0.05 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3f1h s VAL 62 Cb -0.13 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3f1h s VAL 62 CO -0.03 0.04 0.00 1.33 0.00 0.00 0.00 175.10 176.44 3f1h n VAL 63 N 3.97 0.00 -3.75 2.92 0.24 0.04 -0.83 118.33 120.92 3f1h n VAL 63 Ca 0.14 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.34 62.21 3f1h n VAL 63 Cb 0.39 0.54 -0.10 0.00 -1.47 0.00 0.00 33.84 33.20 3f1h n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3f1h s ARG 64 N -1.24 0.51 -0.04 7.34 0.52 -1.10 -2.72 118.95 122.22 3f1h s ARG 64 Ca 0.00 0.24 -0.12 0.00 -0.52 0.00 0.00 55.73 55.33 3f1h s ARG 64 Cb 0.00 0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.73 3f1h s ARG 64 CO 0.00 -0.10 0.27 -0.08 0.02 0.00 0.00 175.30 175.41 3f1h s THR 65 N -0.39 0.05 0.15 0.02 -1.32 -1.14 -0.75 115.64 112.26 3f1h s THR 65 Ca -0.05 -0.38 -0.01 0.00 -1.21 0.00 0.00 61.69 60.05 3f1h s THR 65 Cb -0.03 -0.52 -0.16 0.00 -1.51 0.00 0.00 72.50 70.28 3f1h s THR 65 CO 0.02 -0.21 1.36 0.11 -2.21 0.00 0.00 174.62 173.69 3f1h h LYS 66 N 4.49 0.31 -6.44 7.08 1.79 -1.68 -1.55 116.57 120.58 3f1h h LYS 66 Ca -0.29 -0.32 -0.54 0.00 -2.18 0.00 0.00 60.65 57.33 3f1h h LYS 66 Cb 1.18 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 3f1h h LYS 66 CO 0.38 1.01 0.39 0.21 -1.08 0.00 0.00 179.45 180.36 3f1h s LYS 67 N -3.29 4.56 0.41 3.15 2.47 -1.26 -4.68 119.74 121.10 3f1h s LYS 67 Ca -0.04 1.46 -0.25 0.00 -1.56 0.00 0.00 55.97 55.57 3f1h s LYS 67 Cb 0.10 -3.44 -0.08 0.00 -1.46 0.00 0.00 37.83 32.94 3f1h s LYS 67 CO 0.84 -0.04 1.27 -1.83 0.16 0.00 0.00 175.35 175.76 3f1h s GLU 68 N 0.89 3.93 -0.11 4.03 1.03 -1.26 -4.60 118.70 122.62 3f1h s GLU 68 Ca 0.52 2.08 -0.05 0.00 0.03 0.00 0.00 54.97 57.55 3f1h s GLU 68 Cb -0.22 -2.70 -0.04 0.00 -0.80 0.00 0.00 34.13 30.37 3f1h s GLU 68 CO 0.28 -0.50 0.07 0.08 -1.33 0.00 0.00 175.26 173.87 3f1h s VAL 69 N -1.31 4.88 -0.26 1.83 1.01 -0.18 -4.91 120.40 121.46 3f1h s VAL 69 Ca 0.58 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 3f1h s VAL 69 Cb -0.36 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3f1h s VAL 69 CO 0.46 0.59 0.35 -0.54 0.00 0.00 0.00 175.10 175.96 3f1h s LYS 70 N -0.77 4.03 0.33 2.72 1.02 -1.26 -2.44 119.74 123.38 3f1h s LYS 70 Ca 0.13 0.01 -0.26 0.00 0.02 0.00 0.00 55.97 55.86 3f1h s LYS 70 Cb -0.12 -3.64 -0.09 0.00 -0.52 0.00 0.00 37.83 33.46 3f1h s LYS 70 CO 0.03 -0.23 1.00 1.03 -0.92 0.00 0.00 175.35 176.26 3f1h s ARG 71 N 1.92 4.48 0.48 1.68 1.81 0.47 -4.92 118.95 124.88 3f1h s ARG 71 Ca 0.14 1.47 0.29 0.00 -1.72 0.00 0.00 55.73 55.91 3f1h s ARG 71 Cb -0.16 -2.82 1.57 0.00 -0.45 0.00 0.00 34.95 33.10 3f1h s ARG 71 CO 0.10 0.16 1.87 -1.00 -0.68 0.00 0.00 175.30 175.74 3f1h h PRO 72 N 3.14 0.00 -0.43 3.54 0.13 -1.98 0.24 132.00 136.64 3f1h h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3f1h h PRO 72 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3f1h h PRO 72 CO 0.65 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 3f1h n ASP 73 N -2.58 2.15 0.00 1.44 5.68 -1.26 -4.89 116.55 117.10 3f1h n ASP 73 Ca -0.02 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 3f1h n ASP 73 Cb 0.14 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 3f1h n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3f1h n GLY 74 N 0.97 2.32 3.82 6.12 0.00 0.07 -5.04 105.19 113.45 3f1h n GLY 74 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3f1h n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f1h s SER 75 N -1.85 5.16 0.28 1.61 1.04 -1.24 -4.84 113.70 113.87 3f1h s SER 75 Ca 0.00 1.46 0.02 0.00 0.48 0.00 0.00 55.95 57.92 3f1h s SER 75 Cb 0.00 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 3f1h s SER 75 CO 0.00 -1.56 0.15 0.00 0.98 0.00 0.00 173.24 172.80 3f1h s ALA 76 N -3.11 1.82 -0.28 5.32 0.00 -1.26 -0.39 121.76 123.85 3f1h s ALA 76 Ca 0.59 -1.78 -0.25 0.00 0.00 0.00 0.00 51.96 50.51 3f1h s ALA 76 Cb -0.14 1.17 0.12 0.00 0.00 0.00 0.00 23.12 24.28 3f1h s ALA 76 CO 0.54 -0.51 1.04 -1.50 0.00 0.00 0.00 175.76 175.33 3f1h s ILE 77 N -3.69 0.00 0.04 0.00 -1.16 -1.02 -4.95 121.20 110.42 3f1h s ILE 77 Ca 0.37 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.39 3f1h s ILE 77 Cb 0.06 -1.00 0.01 0.00 0.61 0.00 0.00 42.46 42.14 3f1h s ILE 77 CO 0.16 0.00 0.24 0.00 -2.81 0.00 0.00 174.94 172.54 3f1h s ARG 78 N 0.17 0.74 0.37 3.50 1.70 -1.26 -1.01 118.95 123.17 3f1h s ARG 78 Ca 0.03 -0.57 0.08 0.00 -0.47 0.00 0.00 55.73 54.80 3f1h s ARG 78 Cb -0.05 0.31 -0.06 0.00 -0.57 0.00 0.00 34.95 34.59 3f1h s ARG 78 CO -0.06 -0.23 0.08 -0.06 -1.08 0.00 0.00 175.30 173.95 3f1h s PHE 79 N -2.55 2.58 -1.35 5.89 0.40 -0.58 -5.01 117.98 117.36 3f1h s PHE 79 Ca -0.05 -0.51 0.26 0.00 -0.60 0.00 0.00 56.93 56.03 3f1h s PHE 79 Cb -0.01 -1.70 1.28 0.00 0.51 0.00 0.00 43.02 43.10 3f1h s PHE 79 CO -0.04 0.36 1.88 -0.25 0.70 0.00 0.00 175.22 177.87 3f1h n ASP 80 N -1.07 0.00 -3.88 1.36 8.00 -1.26 -3.93 116.55 115.77 3f1h n ASP 80 Ca -0.03 0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.40 3f1h n ASP 80 Cb 0.64 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.35 3f1h n ASP 80 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3f1h s ASP 81 N -2.65 -0.01 -0.26 -2.24 -4.77 -1.26 -4.93 116.67 100.54 3f1h s ASP 81 Ca 0.22 -0.72 -0.12 0.00 -3.30 0.00 0.00 52.55 48.63 3f1h s ASP 81 Cb 0.17 0.44 -0.05 0.00 -1.09 0.00 0.00 42.92 42.40 3f1h s ASP 81 CO 0.41 -0.88 0.24 0.20 0.70 0.00 0.00 175.17 175.84 3f1h s ASN 82 N -2.92 6.14 0.09 2.11 -0.87 -1.26 -2.87 114.94 115.36 3f1h s ASN 82 Ca 0.12 0.15 0.03 0.00 -1.57 0.00 0.00 52.86 51.59 3f1h s ASN 82 Cb 0.03 -2.15 -0.04 0.00 -0.02 0.00 0.00 41.25 39.08 3f1h s ASN 82 CO -0.04 -0.05 -0.09 0.00 -2.57 0.00 0.00 177.10 174.35 3f1h s ALA 83 N 1.57 1.02 0.05 0.60 0.00 0.07 0.12 121.76 125.20 3f1h s ALA 83 Ca 0.10 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 3f1h s ALA 83 Cb -0.15 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.08 3f1h s ALA 83 CO 0.09 -0.06 0.59 0.00 0.00 0.00 0.00 175.76 176.37 3f1h s ALA 84 N -2.46 -1.52 -0.20 0.00 0.00 -0.60 -0.78 121.76 116.20 3f1h s ALA 84 Ca 0.04 0.77 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 3f1h s ALA 84 Cb -0.03 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 3f1h s ALA 84 CO -0.01 -0.54 -0.02 0.08 0.00 0.00 0.00 175.76 175.28 3f1h s VAL 85 N -2.44 3.78 0.31 0.00 1.01 -0.90 -2.25 120.40 119.92 3f1h s VAL 85 Ca -0.05 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 3f1h s VAL 85 Cb -0.01 -2.71 -0.10 0.00 0.00 0.00 0.00 36.38 33.57 3f1h s VAL 85 CO -0.01 0.43 1.31 -0.63 0.00 0.00 0.00 175.10 176.19 3f1h s ILE 86 N 1.07 2.80 0.22 2.22 1.09 -1.26 -1.97 121.20 125.36 3f1h s ILE 86 Ca 0.02 0.78 0.04 0.00 -1.10 0.00 0.00 60.65 60.39 3f1h s ILE 86 Cb -0.14 -3.50 -0.05 0.00 -1.06 0.00 0.00 42.46 37.71 3f1h s ILE 86 CO 0.01 0.18 -0.03 0.27 -0.10 0.00 0.00 174.94 175.26 3f1h s ILE 87 N -0.94 1.14 0.78 2.92 -4.36 0.13 -2.15 121.20 118.72 3f1h s ILE 87 Ca 0.50 -2.05 -0.12 0.00 -0.26 0.00 0.00 60.65 58.72 3f1h s ILE 87 Cb -0.39 -2.24 0.07 0.00 1.25 0.00 0.00 42.46 41.15 3f1h s ILE 87 CO 0.50 -0.42 1.13 0.21 0.24 0.00 0.00 174.94 176.60 3f1h s ASN 88 N -3.29 4.14 0.33 4.36 3.84 0.75 -4.48 114.94 120.59 3f1h s ASN 88 Ca 0.26 2.05 0.26 0.00 0.21 0.00 0.00 52.86 55.64 3f1h s ASN 88 Cb 0.05 -2.55 1.05 0.00 -0.55 0.00 0.00 41.25 39.25 3f1h s ASN 88 CO 0.07 -2.28 1.78 -1.13 -2.79 0.00 0.00 177.10 172.75 3f1h h ASN 89 N -0.96 0.00 0.10 -4.21 -0.73 -1.96 0.19 115.58 108.02 3f1h h ASN 89 Ca -0.45 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.72 3f1h h ASN 89 Cb 1.26 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.85 3f1h h ASN 89 CO 0.49 0.00 -0.00 0.00 -0.37 0.00 0.00 177.43 177.54 3f1h n GLN 90 N -2.45 0.94 -2.42 6.67 3.00 -1.26 -4.90 117.38 116.96 3f1h n GLN 90 Ca 0.02 -0.08 -0.12 0.00 -0.01 0.00 0.00 57.00 56.81 3f1h n GLN 90 Cb 0.26 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.01 3f1h n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3f1h n LEU 91 N -0.96 -1.82 -4.61 1.08 7.99 0.68 -5.04 117.00 114.33 3f1h n LEU 91 Ca 0.22 -0.08 -0.33 0.00 -0.01 0.00 0.00 56.01 55.81 3f1h n LEU 91 Cb 0.15 -1.90 -0.10 0.00 -0.11 0.00 0.00 43.42 41.46 3f1h n LEU 91 CO 0.19 -0.01 -0.37 -1.61 -1.51 0.00 0.00 177.39 174.08 3f1h s GLU 92 N -4.85 2.68 -0.01 3.23 2.02 -1.25 -4.81 118.70 115.71 3f1h s GLU 92 Ca 0.07 -0.62 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 3f1h s GLU 92 Cb -0.03 -2.57 -0.08 0.00 0.10 0.00 0.00 34.13 31.55 3f1h s GLU 92 CO 0.09 0.63 1.91 -1.25 0.02 0.00 0.00 175.26 176.66 3f1h s PRO 93 N -1.19 4.07 0.00 0.39 0.04 -1.26 0.27 135.00 137.32 3f1h s PRO 93 Ca 0.15 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.65 3f1h s PRO 93 Cb -0.11 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.29 3f1h s PRO 93 CO 0.05 -1.02 0.56 0.54 0.04 0.00 0.00 177.00 177.17 3f1h n ARG 94 N 7.54 0.00 -1.31 4.56 1.74 -0.92 -4.67 116.66 123.61 3f1h n ARG 94 Ca 0.20 0.17 -0.36 0.00 -0.77 0.00 0.00 57.85 57.10 3f1h n ARG 94 Cb 0.42 -1.06 0.09 0.00 -1.02 0.00 0.00 32.46 30.89 3f1h n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f1h n GLY 95 N -0.66 -0.69 0.00 -0.13 0.00 -1.26 -5.02 105.19 97.43 3f1h n GLY 95 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3f1h n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3f1h n THR 96 N -2.54 0.00 -1.26 2.61 -2.24 -1.26 -4.87 114.28 104.72 3f1h n THR 96 Ca 0.12 0.00 -0.49 0.00 -2.27 0.00 0.00 64.05 61.41 3f1h n THR 96 Cb 0.50 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.65 3f1h n THR 96 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3f1h n ARG 97 N 0.00 0.00 -3.57 -0.78 0.63 -1.26 -4.68 116.66 107.00 3f1h n ARG 97 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 3f1h n ARG 97 Cb 0.00 -1.12 -0.02 0.00 0.45 0.00 0.00 32.46 31.77 3f1h n ARG 97 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3f1h s VAL 98 N 1.77 5.15 0.03 5.15 0.11 -1.25 -3.63 120.40 127.73 3f1h s VAL 98 Ca 0.76 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 3f1h s VAL 98 Cb -1.08 -3.81 -0.03 0.00 -1.53 0.00 0.00 36.38 29.93 3f1h s VAL 98 CO 0.57 -0.39 -0.04 0.72 -3.33 0.00 0.00 175.10 172.63 3f1h s PHE 99 N -2.11 0.43 0.00 1.54 -0.71 -0.44 -4.48 117.98 112.21 3f1h s PHE 99 Ca 0.39 -0.63 0.00 0.00 -1.04 0.00 0.00 56.93 55.65 3f1h s PHE 99 Cb -0.10 -0.29 0.00 0.00 -1.21 0.00 0.00 43.02 41.42 3f1h s PHE 99 CO 0.32 -0.19 0.00 0.41 -1.34 0.00 0.00 175.22 174.42 3f1h n GLY 100 N 1.24 1.06 3.31 1.99 0.00 -1.26 -4.70 105.19 106.83 3f1h n GLY 100 Ca -0.21 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 3f1h n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3f1h n PRO 101 N 1.34 -1.77 -3.97 1.61 -0.02 -1.26 -4.60 135.00 126.34 3f1h n PRO 101 Ca 0.00 -0.50 -0.08 0.00 -2.02 0.00 0.00 63.50 60.90 3f1h n PRO 101 Cb 0.00 -1.79 -0.09 0.00 -0.02 0.00 0.00 33.50 31.60 3f1h n PRO 101 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3f1h s VAL 102 N -2.27 0.17 0.37 -1.45 -7.23 -0.97 -4.84 120.40 104.19 3f1h s VAL 102 Ca 0.58 -1.43 -0.24 0.00 -1.81 0.00 0.00 61.98 59.08 3f1h s VAL 102 Cb -0.15 -1.33 -0.10 0.00 0.56 0.00 0.00 36.38 35.37 3f1h s VAL 102 CO 0.66 -0.79 0.98 0.00 -0.31 0.00 0.00 175.10 175.64 3f1h s ALA 103 N -3.65 3.13 0.25 1.32 0.00 -1.10 -2.35 121.76 119.36 3f1h s ALA 103 Ca 0.04 0.56 0.36 0.00 0.00 0.00 0.00 51.96 52.92 3f1h s ALA 103 Cb 0.05 -3.21 1.73 0.00 0.00 0.00 0.00 23.12 21.69 3f1h s ALA 103 CO -0.09 0.03 2.09 0.00 0.00 0.00 0.00 175.76 177.79 3f1h h ARG 104 N 2.68 0.00 -0.10 0.00 3.08 -1.73 -2.53 114.38 115.79 3f1h h ARG 104 Ca -0.48 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.60 3f1h h ARG 104 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 3f1h h ARG 104 CO 0.63 0.00 0.08 0.93 -1.07 0.00 0.00 179.97 180.54 3f1h h GLU 105 N 0.00 0.00 -0.07 0.04 3.07 -1.92 0.19 114.58 115.89 3f1h h GLU 105 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 3f1h h GLU 105 Cb 0.28 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3f1h h GLU 105 CO 0.00 0.00 0.05 -0.07 -1.40 0.00 0.00 179.01 177.59 3f1h h LEU 106 N 0.00 0.00 0.65 1.33 3.38 -1.80 -1.10 115.31 117.78 3f1h h LEU 106 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3f1h h LEU 106 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3f1h h LEU 106 CO -0.00 0.00 -0.31 -0.09 0.09 0.00 0.00 178.44 178.13 3f1h h ARG 107 N 0.00 -0.84 0.00 1.13 9.65 -1.15 -1.26 114.38 121.91 3f1h h ARG 107 Ca 0.03 0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 3f1h h ARG 107 Cb 0.14 0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3f1h h ARG 107 CO -0.00 -0.53 -0.03 0.93 2.80 0.00 0.00 179.97 183.13 3f1h h GLU 108 N -0.96 0.00 0.00 0.20 5.08 -1.43 -1.87 114.58 115.60 3f1h h GLU 108 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3f1h h GLU 108 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3f1h h GLU 108 CO 0.15 0.03 -0.58 1.63 -1.00 0.00 0.00 179.01 179.24 3f1h n LYS 109 N -3.35 0.19 -0.64 2.33 4.76 -0.49 -4.97 118.16 115.99 3f1h n LYS 109 Ca -0.02 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3f1h n LYS 109 Cb 0.16 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 3f1h n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f1h n GLY 110 N 1.40 1.47 2.57 0.72 0.00 -0.66 -5.01 105.19 105.67 3f1h n GLY 110 Ca 0.04 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3f1h n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3f1h n PHE 111 N -1.97 2.81 -0.35 1.61 3.72 -0.57 -4.79 117.46 117.92 3f1h n PHE 111 Ca 0.00 -2.52 0.28 0.00 -0.05 0.00 0.00 57.45 55.16 3f1h n PHE 111 Cb 0.16 -1.29 0.59 0.00 -0.94 0.00 0.00 39.48 37.99 3f1h n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3f1h h MET 112 N 2.50 0.24 -0.53 -1.08 2.86 -1.89 0.19 114.93 117.22 3f1h h MET 112 Ca 0.54 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 58.23 3f1h h MET 112 Cb 0.46 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 3f1h h MET 112 CO 1.38 0.16 0.22 0.87 1.06 0.00 0.00 176.91 180.61 3f1h h LYS 113 N 0.25 0.41 0.11 1.72 1.79 -1.98 0.13 116.57 119.01 3f1h h LYS 113 Ca 0.64 -0.02 -0.25 0.00 -2.18 0.00 0.00 60.65 58.84 3f1h h LYS 113 Cb 1.90 -0.09 0.03 0.00 -1.58 0.00 0.00 32.23 32.48 3f1h h LYS 113 CO -0.27 0.27 -1.03 0.82 -1.08 0.00 0.00 179.45 178.17 3f1h h ILE 114 N 0.43 1.36 0.00 1.86 1.08 -1.03 0.23 117.51 121.43 3f1h h ILE 114 Ca 0.25 -2.41 -0.04 0.00 -0.39 0.00 0.00 64.86 62.28 3f1h h ILE 114 Cb 0.24 2.80 -0.01 0.00 -3.07 0.00 0.00 36.82 36.79 3f1h h ILE 114 CO -0.23 0.71 -0.18 -0.37 -0.69 0.00 0.00 178.15 177.40 3f1h h VAL 115 N 0.05 0.94 0.52 1.67 -1.51 -1.39 0.14 116.25 116.68 3f1h h VAL 115 Ca -0.16 -0.65 -0.03 0.00 -1.23 0.00 0.00 66.70 64.64 3f1h h VAL 115 Cb 1.75 1.37 0.01 0.00 -2.13 0.00 0.00 31.29 32.28 3f1h h VAL 115 CO 0.20 0.17 -0.25 -1.28 -1.23 0.00 0.00 177.57 175.18 3f1h h SER 116 N 0.00 -0.59 0.00 4.19 0.87 -0.57 -3.23 113.55 114.22 3f1h h SER 116 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3f1h h SER 116 Cb 0.35 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3f1h h SER 116 CO 0.02 -0.33 0.00 0.18 -0.53 0.00 0.00 176.83 176.18 3f1h n LEU 117 N -4.43 0.00 -4.72 2.23 4.77 0.05 -4.74 117.00 110.17 3f1h n LEU 117 Ca -0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.48 3f1h n LEU 117 Cb 0.28 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3f1h n LEU 117 CO 0.21 0.00 0.57 0.00 -1.33 0.00 0.00 177.39 176.84 3f1h s ALA 118 N -2.00 3.24 0.55 -1.18 0.00 0.41 -3.95 121.76 118.84 3f1h s ALA 118 Ca 0.05 0.39 0.30 0.00 0.00 0.00 0.00 51.96 52.70 3f1h s ALA 118 Cb 0.02 -3.18 1.79 0.00 0.00 0.00 0.00 23.12 21.75 3f1h s ALA 118 CO 0.04 -0.14 2.22 -1.00 0.00 0.00 0.00 175.76 176.88 3f1h h PRO 119 N 6.58 0.00 -1.39 0.00 0.13 -1.81 -3.44 132.00 132.06 3f1h h PRO 119 Ca -0.41 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.85 3f1h h PRO 119 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.09 3f1h h PRO 119 CO 0.74 0.03 0.67 -2.00 -0.23 0.00 0.00 178.00 177.21 3f1h s GLU 120 N -4.48 0.40 -0.31 0.86 2.12 -1.26 -5.02 118.70 111.01 3f1h s GLU 120 Ca -0.04 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.46 3f1h s GLU 120 Cb 0.14 0.19 0.09 0.00 0.26 0.00 0.00 34.13 34.82 3f1h s GLU 120 CO 0.54 -0.11 0.04 0.08 -0.54 0.00 0.00 175.26 175.28 3f1h s VAL 121 N -0.84 1.63 -2.72 3.70 1.01 -1.26 -2.30 120.40 119.61 3f1h s VAL 121 Ca 0.02 -1.77 0.26 0.00 0.00 0.00 0.00 61.98 60.49 3f1h s VAL 121 Cb -0.01 -2.14 0.39 0.00 0.00 0.00 0.00 36.38 34.62 3f1h s VAL 121 CO -0.03 -0.52 1.53 0.18 0.00 0.00 0.00 175.10 176.26