#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n ASN 2 N 0.00 0.47 0.00 6.12 3.02 -1.26 -2.71 115.26 120.90 3f1h n ASN 2 Ca 0.00 -1.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 3f1h n ASN 2 Cb 0.00 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 37.87 3f1h n ASN 2 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3f1h n ARG 3 N 7.35 0.00 -0.40 3.52 1.85 -1.26 -5.02 116.66 122.70 3f1h n ARG 3 Ca 0.43 0.00 0.36 0.00 -1.00 0.00 0.00 57.85 57.64 3f1h n ARG 3 Cb 0.39 0.00 0.55 0.00 -1.05 0.00 0.00 32.46 32.35 3f1h n ARG 3 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3f1h n GLY 4 N 0.00 -0.78 0.07 2.89 0.00 -1.10 0.24 105.19 106.51 3f1h n GLY 4 Ca 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 3f1h n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1h h ALA 5 N 0.66 -0.02 -1.06 4.61 0.00 -1.95 -3.05 119.26 118.46 3f1h h ALA 5 Ca 0.63 -0.34 0.28 0.00 0.00 0.00 0.00 54.91 55.47 3f1h h ALA 5 Cb 3.01 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 20.72 3f1h h ALA 5 CO -0.01 -0.04 0.68 1.25 0.00 0.00 0.00 179.25 181.14 3f1h h LEU 6 N -0.97 0.42 0.39 0.00 5.85 0.27 0.46 115.31 121.74 3f1h h LEU 6 Ca -0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3f1h h LEU 6 Cb 0.69 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3f1h h LEU 6 CO 0.00 0.07 -0.26 0.40 -0.34 0.00 0.00 178.44 178.31 3f1h h ILE 7 N 0.37 0.45 -0.60 4.05 1.08 -1.13 -1.98 117.51 119.74 3f1h h ILE 7 Ca 0.61 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 65.19 3f1h h ILE 7 Cb 1.58 0.45 -0.12 0.00 -3.07 0.00 0.00 36.82 35.66 3f1h h ILE 7 CO -0.30 0.00 -0.23 0.11 -0.69 0.00 0.00 178.15 177.04 3f1h h LYS 8 N -0.64 -0.08 -0.14 2.37 1.57 -0.10 0.85 116.57 120.40 3f1h h LYS 8 Ca -0.04 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3f1h h LYS 8 Cb 0.54 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3f1h h LYS 8 CO 0.03 -0.05 0.23 -0.07 -0.57 0.00 0.00 179.45 179.02 3f1h h LEU 9 N -0.08 0.00 -0.21 2.94 3.38 -0.28 0.21 115.31 121.28 3f1h h LEU 9 Ca 0.27 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.02 3f1h h LEU 9 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3f1h h LEU 9 CO -0.65 0.00 -0.80 0.58 0.09 0.00 0.00 178.44 177.66 3f1h h VAL 10 N 0.00 1.31 -0.07 1.22 2.07 -0.10 -2.47 116.25 118.20 3f1h h VAL 10 Ca 0.07 -2.05 0.02 0.00 0.82 0.00 0.00 66.70 65.55 3f1h h VAL 10 Cb 0.53 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3f1h h VAL 10 CO -0.00 0.64 0.12 -0.33 0.02 0.00 0.00 177.57 178.02 3f1h h GLU 11 N 0.46 0.00 -5.95 1.57 3.07 -0.84 -3.39 114.58 109.49 3f1h h GLU 11 Ca -0.06 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.20 3f1h h GLU 11 Cb 1.42 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.22 3f1h h GLU 11 CO 0.16 0.00 0.50 -1.12 -1.40 0.00 0.00 179.01 177.15 3f1h s SER 12 N -5.55 6.61 0.00 1.42 0.01 -0.93 -4.50 113.70 110.76 3f1h s SER 12 Ca -0.05 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.66 3f1h s SER 12 Cb 0.14 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.94 3f1h s SER 12 CO 0.48 -0.81 0.00 -2.11 0.41 0.00 0.00 173.24 171.21 3f1h n ARG 13 N 6.64 0.00 0.00 12.44 1.85 -1.26 -4.79 116.66 131.54 3f1h n ARG 13 Ca 0.05 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 57.00 3f1h n ARG 13 Cb 0.48 -0.00 0.60 0.00 -1.05 0.00 0.00 32.46 32.49 3f1h n ARG 13 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3f1h n TYR 14 N 0.00 0.00 -2.63 2.89 4.02 -1.26 -4.90 117.16 115.27 3f1h n TYR 14 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 3f1h n TYR 14 Cb 0.19 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.47 3f1h n TYR 14 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3f1h s VAL 15 N -2.00 4.07 0.70 -0.72 -7.23 -1.26 -4.87 120.40 109.08 3f1h s VAL 15 Ca 0.30 1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 62.32 3f1h s VAL 15 Cb 0.14 -4.19 0.11 0.00 0.56 0.00 0.00 36.38 33.00 3f1h s VAL 15 CO 0.23 0.35 0.97 -0.13 -0.31 0.00 0.00 175.10 176.21 3f1h s ARG 16 N -0.58 1.83 0.00 4.82 1.81 -1.26 -5.03 118.95 120.55 3f1h s ARG 16 Ca 0.46 -0.97 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 3f1h s ARG 16 Cb -0.27 -2.33 0.00 0.00 -0.45 0.00 0.00 34.95 31.90 3f1h s ARG 16 CO 0.33 -1.33 0.00 -2.37 -0.68 0.00 0.00 175.30 171.25 3f1h n THR 17 N -2.78 0.00 0.05 0.02 5.66 -1.26 -4.92 114.28 111.05 3f1h n THR 17 Ca 0.13 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.02 3f1h n THR 17 Cb 0.60 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.33 3f1h n THR 17 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 3f1h h ASP 18 N 0.00 -0.20 -1.40 1.09 2.03 -2.01 -3.44 116.42 112.49 3f1h h ASP 18 Ca 0.00 0.03 -0.69 0.00 -0.73 0.00 0.00 57.03 55.64 3f1h h ASP 18 Cb 0.00 0.09 0.09 0.00 -0.83 0.00 0.00 39.33 38.67 3f1h h ASP 18 CO 0.00 -0.10 -0.10 0.18 -1.03 0.00 0.00 179.24 178.18 3f1h n LEU 19 N -5.19 0.11 -4.90 0.15 4.77 -1.26 -4.94 117.00 105.74 3f1h n LEU 19 Ca -0.06 1.15 -0.28 0.00 -0.03 0.00 0.00 56.01 56.78 3f1h n LEU 19 Cb 0.12 -1.05 0.04 0.00 -2.33 0.00 0.00 43.42 40.20 3f1h n LEU 19 CO 0.30 -2.11 0.62 -2.84 -1.33 0.00 0.00 177.39 172.03 3f1h s PRO 20 N -0.63 2.94 0.45 3.23 0.02 -1.26 -5.06 135.00 134.69 3f1h s PRO 20 Ca 0.73 0.21 -0.24 0.00 0.02 0.00 0.00 61.00 61.71 3f1h s PRO 20 Cb -0.97 -2.17 -0.08 0.00 0.02 0.00 0.00 34.50 31.30 3f1h s PRO 20 CO 0.56 -0.81 1.25 -1.21 -0.33 0.00 0.00 177.00 176.46 3f1h s GLU 21 N -5.13 3.76 -0.30 5.54 2.02 -1.26 -5.02 118.70 118.30 3f1h s GLU 21 Ca 0.55 2.00 -0.13 0.00 0.02 0.00 0.00 54.97 57.42 3f1h s GLU 21 Cb -0.11 -2.54 0.18 0.00 0.10 0.00 0.00 34.13 31.76 3f1h s GLU 21 CO 0.48 -0.62 1.04 -0.59 0.02 0.00 0.00 175.26 175.59 3f1h s PHE 22 N -1.38 -0.55 0.21 1.61 -0.12 -1.26 -4.95 117.98 111.54 3f1h s PHE 22 Ca 0.62 0.61 0.06 0.00 -0.05 0.00 0.00 56.93 58.17 3f1h s PHE 22 Cb -0.34 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 3f1h s PHE 22 CO 0.43 -0.30 0.16 -0.98 -0.05 0.00 0.00 175.22 174.48 3f1h s ARG 23 N 2.91 2.89 0.58 1.99 1.70 -1.26 -5.06 118.95 122.70 3f1h s ARG 23 Ca -0.01 -0.97 -0.18 0.00 -0.47 0.00 0.00 55.73 54.10 3f1h s ARG 23 Cb -0.10 -2.59 -0.07 0.00 -0.57 0.00 0.00 34.95 31.62 3f1h s ARG 23 CO -0.12 0.44 0.74 -0.35 -1.08 0.00 0.00 175.30 174.93 3f1h n PRO 24 N -0.74 0.69 -1.83 3.89 -0.04 -1.26 -3.76 135.00 131.96 3f1h n PRO 24 Ca -0.08 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3f1h n PRO 24 Cb 0.56 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 3f1h n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f1h n GLY 25 N 1.55 0.45 3.65 0.55 0.00 -1.11 -4.64 105.19 105.63 3f1h n GLY 25 Ca 0.13 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.72 3f1h n GLY 25 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f1h s ASP 26 N -2.83 -0.15 0.75 1.61 1.47 -1.25 -1.96 116.67 114.31 3f1h s ASP 26 Ca 0.00 0.23 -0.11 0.00 1.18 0.00 0.00 52.55 53.86 3f1h s ASP 26 Cb 0.00 1.05 0.04 0.00 -0.34 0.00 0.00 42.92 43.67 3f1h s ASP 26 CO 0.00 -0.04 1.08 0.28 0.68 0.00 0.00 175.17 177.17 3f1h s THR 27 N 1.08 3.56 -0.16 2.11 -1.32 -1.10 -3.59 115.64 116.22 3f1h s THR 27 Ca -0.08 0.51 -0.32 0.00 -1.21 0.00 0.00 61.69 60.59 3f1h s THR 27 Cb -0.03 -3.14 0.14 0.00 -1.51 0.00 0.00 72.50 67.96 3f1h s THR 27 CO -0.11 -0.66 1.11 0.54 -2.21 0.00 0.00 174.62 173.30 3f1h s VAL 28 N -3.00 0.00 -0.05 5.08 0.11 -0.52 -2.75 120.40 119.27 3f1h s VAL 28 Ca 0.60 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.68 3f1h s VAL 28 Cb -0.15 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.70 3f1h s VAL 28 CO 0.55 0.00 -0.12 0.00 -3.33 0.00 0.00 175.10 172.20 3f1h s ARG 29 N -2.06 1.53 -0.01 1.54 1.70 -0.64 -1.55 118.95 119.45 3f1h s ARG 29 Ca 0.06 -0.42 -0.01 0.00 -0.47 0.00 0.00 55.73 54.88 3f1h s ARG 29 Cb -0.01 -1.31 -0.04 0.00 -0.57 0.00 0.00 34.95 33.02 3f1h s ARG 29 CO -0.05 0.09 0.11 0.14 -1.08 0.00 0.00 175.30 174.51 3f1h s VAL 30 N 0.43 4.94 -0.37 4.99 -7.23 -0.72 -2.13 120.40 120.32 3f1h s VAL 30 Ca -0.10 -0.30 -0.14 0.00 -1.81 0.00 0.00 61.98 59.63 3f1h s VAL 30 Cb -0.13 -3.26 -0.00 0.00 0.56 0.00 0.00 36.38 33.54 3f1h s VAL 30 CO 0.03 0.37 0.28 -0.44 -0.31 0.00 0.00 175.10 175.02 3f1h s SER 31 N -1.72 6.09 -0.20 4.85 0.01 -1.05 -0.62 113.70 121.07 3f1h s SER 31 Ca 0.23 -0.56 -0.05 0.00 1.31 0.00 0.00 55.95 56.87 3f1h s SER 31 Cb -0.12 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 3f1h s SER 31 CO 0.14 -0.33 0.01 -0.47 0.41 0.00 0.00 173.24 173.01 3f1h s TYR 32 N 1.76 3.07 0.17 2.43 5.04 0.67 -1.89 117.35 128.60 3f1h s TYR 32 Ca 0.07 -0.36 -0.31 0.00 -2.44 0.00 0.00 57.07 54.03 3f1h s TYR 32 Cb -0.18 -2.09 -0.09 0.00 0.35 0.00 0.00 41.96 39.96 3f1h s TYR 32 CO 0.11 -0.17 1.39 0.15 -1.34 0.00 0.00 175.55 175.68 3f1h s LYS 33 N 0.91 4.32 0.06 4.97 1.02 -0.90 -1.96 119.74 128.17 3f1h s LYS 33 Ca 0.02 2.14 0.03 0.00 0.02 0.00 0.00 55.97 58.18 3f1h s LYS 33 Cb -0.14 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 3f1h s LYS 33 CO 0.02 -0.39 -0.10 0.08 -0.92 0.00 0.00 175.35 174.04 3f1h s VAL 34 N 0.55 0.80 -0.75 3.17 1.01 -1.23 -4.95 120.40 119.01 3f1h s VAL 34 Ca 0.61 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 3f1h s VAL 34 Cb -0.38 -0.89 0.20 0.00 0.00 0.00 0.00 36.38 35.30 3f1h s VAL 34 CO 0.36 -0.35 0.68 -1.59 0.00 0.00 0.00 175.10 174.19 3f1h s LYS 35 N -1.82 3.37 -0.60 2.72 -2.85 -1.26 -0.48 119.74 118.82 3f1h s LYS 35 Ca -0.05 -2.33 -0.28 0.00 -1.00 0.00 0.00 55.97 52.31 3f1h s LYS 35 Cb -0.09 -4.32 0.03 0.00 -2.06 0.00 0.00 37.83 31.39 3f1h s LYS 35 CO 0.01 -1.28 1.24 -2.00 0.10 0.00 0.00 175.35 173.42 3f1h s GLU 36 N 0.41 3.44 1.82 1.78 2.56 -1.19 -4.64 118.70 122.88 3f1h s GLU 36 Ca 0.15 0.22 0.00 0.00 0.00 0.00 0.00 54.97 55.34 3f1h s GLU 36 Cb -0.15 -4.05 0.00 0.00 2.00 0.00 0.00 34.13 31.93 3f1h s GLU 36 CO -0.06 -1.79 0.00 0.41 -0.56 0.00 0.00 175.26 173.26 3f1h n GLY 37 N 5.14 0.87 0.00 -1.50 0.00 -1.26 -2.83 105.19 105.61 3f1h n GLY 37 Ca 0.08 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3f1h n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3f1h n ASN 38 N 3.85 1.86 -3.37 1.61 6.94 -1.26 -5.08 115.26 119.80 3f1h n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3f1h n ASN 38 Cb 0.00 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 3f1h n ASN 38 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3f1h n ARG 39 N -1.72 0.40 -3.58 -3.83 1.85 -1.13 -4.94 116.66 103.70 3f1h n ARG 39 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.66 3f1h n ARG 39 Cb 0.22 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.48 3f1h n ARG 39 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3f1h s THR 40 N -0.26 -0.26 0.00 8.89 2.01 -1.26 -3.17 115.64 121.59 3f1h s THR 40 Ca 0.00 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.06 3f1h s THR 40 Cb 0.00 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 72.00 3f1h s THR 40 CO 0.00 -0.08 0.00 0.54 -0.69 0.00 0.00 174.62 174.39 3f1h n ARG 41 N 5.31 0.18 -2.70 4.92 5.12 0.37 -4.83 116.66 125.04 3f1h n ARG 41 Ca -0.05 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.80 3f1h n ARG 41 Cb 0.50 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 31.89 3f1h n ARG 41 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3f1h n ILE 42 N -1.31 0.37 -1.50 0.55 -6.64 -1.26 -3.50 119.36 106.08 3f1h n ILE 42 Ca 0.00 -1.97 -0.57 0.00 -1.77 0.00 0.00 62.75 58.45 3f1h n ILE 42 Cb 0.00 0.93 -0.07 0.00 -1.44 0.00 0.00 39.64 39.06 3f1h n ILE 42 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 3f1h n GLN 43 N -0.58 0.15 -3.63 6.28 7.27 -0.83 -4.19 117.38 121.84 3f1h n GLN 43 Ca -0.01 0.05 -0.30 0.00 0.07 0.00 0.00 57.00 56.81 3f1h n GLN 43 Cb 0.84 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.95 3f1h n GLN 43 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3f1h s ASP 44 N -0.09 6.46 -0.30 1.69 -0.00 -1.26 -0.24 116.67 122.92 3f1h s ASP 44 Ca 0.86 0.56 -0.03 0.00 -0.00 0.00 0.00 52.55 53.94 3f1h s ASP 44 Cb -1.18 -2.08 0.11 0.00 -0.00 0.00 0.00 42.92 39.77 3f1h s ASP 44 CO 0.56 -0.01 0.14 0.12 -0.00 0.00 0.00 175.17 175.98 3f1h s PHE 45 N -1.77 0.50 -0.23 4.23 5.36 0.21 -4.96 117.98 121.32 3f1h s PHE 45 Ca 0.41 -1.07 -0.11 0.00 -0.96 0.00 0.00 56.93 55.19 3f1h s PHE 45 Cb -0.12 -0.98 -0.05 0.00 -0.34 0.00 0.00 43.02 41.54 3f1h s PHE 45 CO 0.26 -0.83 0.19 -2.00 -1.46 0.00 0.00 175.22 171.38 3f1h s GLU 46 N 1.89 4.10 0.02 10.12 2.12 -1.26 -1.76 118.70 133.93 3f1h s GLU 46 Ca 0.10 -0.19 -0.24 0.00 0.36 0.00 0.00 54.97 55.00 3f1h s GLU 46 Cb -0.17 -3.53 0.08 0.00 0.26 0.00 0.00 34.13 30.77 3f1h s GLU 46 CO -0.30 0.07 1.10 0.41 -0.54 0.00 0.00 175.26 176.00 3f1h n GLY 47 N 4.15 0.34 3.76 -1.50 0.00 -0.59 -4.71 105.19 106.64 3f1h n GLY 47 Ca -0.14 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 3f1h n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f1h s ILE 48 N -2.05 4.82 -0.50 -0.61 1.09 0.14 -1.44 121.20 122.65 3f1h s ILE 48 Ca 0.26 1.39 -0.28 0.00 -1.10 0.00 0.00 60.65 60.91 3f1h s ILE 48 Cb -0.01 -4.00 0.00 0.00 -1.06 0.00 0.00 42.46 37.40 3f1h s ILE 48 CO 0.01 0.41 1.52 0.54 -0.10 0.00 0.00 174.94 177.32 3f1h s VAL 49 N -0.25 3.72 0.13 2.92 0.11 -1.24 0.34 120.40 126.12 3f1h s VAL 49 Ca 0.33 0.64 0.09 0.00 -2.93 0.00 0.00 61.98 60.12 3f1h s VAL 49 Cb -0.19 -4.22 -0.13 0.00 -1.53 0.00 0.00 36.38 30.31 3f1h s VAL 49 CO 0.20 -0.94 1.38 0.40 -3.33 0.00 0.00 175.10 172.81 3f1h h ILE 50 N 6.52 1.55 -1.42 7.04 5.03 0.03 -2.93 117.51 133.33 3f1h h ILE 50 Ca -0.28 -2.96 0.13 0.00 -0.12 0.00 0.00 64.86 61.62 3f1h h ILE 50 Cb 1.11 2.62 -0.26 0.00 -3.03 0.00 0.00 36.82 37.27 3f1h h ILE 50 CO 1.14 0.83 0.30 -0.60 -0.68 0.00 0.00 178.15 179.14 3f1h s ARG 51 N -2.96 0.38 -0.20 2.37 3.00 -1.23 -2.01 118.95 118.30 3f1h s ARG 51 Ca 0.01 0.74 -0.07 0.00 -1.00 0.00 0.00 55.73 55.40 3f1h s ARG 51 Cb 0.10 0.22 -0.04 0.00 0.00 0.00 0.00 34.95 35.23 3f1h s ARG 51 CO 0.80 -0.09 0.06 0.42 0.00 0.00 0.00 175.30 176.48 3f1h s ILE 52 N 1.74 4.66 -0.67 4.11 1.01 -1.26 -1.62 121.20 129.17 3f1h s ILE 52 Ca -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 3f1h s ILE 52 Cb -0.05 -3.11 0.17 0.00 0.01 0.00 0.00 42.46 39.48 3f1h s ILE 52 CO -0.16 0.43 0.50 -0.60 0.00 0.00 0.00 174.94 175.11 3f1h s ARG 53 N 0.65 2.73 0.25 2.79 3.52 0.54 -4.95 118.95 124.47 3f1h s ARG 53 Ca 0.03 -2.59 -0.30 0.00 -0.13 0.00 0.00 55.73 52.75 3f1h s ARG 53 Cb -0.13 -3.82 -0.09 0.00 -1.56 0.00 0.00 34.95 29.35 3f1h s ARG 53 CO 0.02 -1.19 1.13 1.03 -0.81 0.00 0.00 175.30 175.47 3f1h s ARG 54 N -0.15 4.59 -0.39 5.12 0.52 -1.26 -2.09 118.95 125.30 3f1h s ARG 54 Ca 0.18 1.82 0.08 0.00 -0.52 0.00 0.00 55.73 57.28 3f1h s ARG 54 Cb -0.18 -3.21 0.33 0.00 0.52 0.00 0.00 34.95 32.41 3f1h s ARG 54 CO -0.04 0.12 1.30 -1.71 0.02 0.00 0.00 175.30 174.99 3f1h n ASN 55 N 1.61 -1.78 0.00 0.23 5.15 -1.26 -4.94 115.26 114.27 3f1h n ASN 55 Ca 0.01 -2.33 0.00 0.00 -0.60 0.00 0.00 54.58 51.66 3f1h n ASN 55 Cb 0.45 1.03 0.00 0.00 -0.53 0.00 0.00 39.78 40.73 3f1h n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3f1h n GLY 56 N -0.57 3.20 3.34 8.20 0.00 -1.26 -4.06 105.19 114.04 3f1h n GLY 56 Ca -0.07 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3f1h n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3f1h n PHE 57 N 14.00 -1.43 -1.30 1.61 -0.00 -1.26 -2.43 117.46 126.65 3f1h n PHE 57 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 57.45 57.41 3f1h n PHE 57 Cb 0.00 -1.60 -0.02 0.00 -0.00 0.00 0.00 39.48 37.86 3f1h n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3f1h n ASN 58 N -2.95 -1.39 -4.76 -2.13 2.04 -1.26 -4.90 115.26 99.92 3f1h n ASN 58 Ca 0.01 0.15 -0.41 0.00 -0.44 0.00 0.00 54.58 53.89 3f1h n ASN 58 Cb 0.59 -1.56 -0.02 0.00 -2.53 0.00 0.00 39.78 36.26 3f1h n ASN 58 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 3f1h s THR 59 N -1.51 2.83 0.37 5.53 -1.32 -1.02 -4.75 115.64 115.77 3f1h s THR 59 Ca 0.00 0.78 0.08 0.00 -1.21 0.00 0.00 61.69 61.34 3f1h s THR 59 Cb 0.00 -3.49 -0.05 0.00 -1.51 0.00 0.00 72.50 67.44 3f1h s THR 59 CO 0.00 0.16 0.09 0.42 -2.21 0.00 0.00 174.62 173.08 3f1h s THR 60 N -0.68 2.53 0.02 5.08 -4.23 -0.89 -1.67 115.64 115.81 3f1h s THR 60 Ca 0.52 -1.84 -0.13 0.00 -1.18 0.00 0.00 61.69 59.06 3f1h s THR 60 Cb -0.39 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.56 3f1h s THR 60 CO 0.48 -0.12 0.28 0.72 -0.54 0.00 0.00 174.62 175.44 3f1h s PHE 61 N -2.55 -0.09 -0.05 3.99 -0.12 -1.09 -0.34 117.98 117.73 3f1h s PHE 61 Ca 0.37 0.03 0.03 0.00 -0.05 0.00 0.00 56.93 57.31 3f1h s PHE 61 Cb 0.02 0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.48 3f1h s PHE 61 CO 0.21 -0.43 -0.13 0.95 -0.05 0.00 0.00 175.22 175.76 3f1h s THR 62 N -2.02 1.14 0.09 -4.49 -4.23 -0.64 -1.39 115.64 104.10 3f1h s THR 62 Ca -0.09 -0.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.95 3f1h s THR 62 Cb -0.03 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 3f1h s THR 62 CO -0.00 0.34 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.68 3f1h s VAL 63 N 0.32 3.68 -0.04 2.29 1.01 -0.26 0.77 120.40 128.17 3f1h s VAL 63 Ca -0.08 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 60.82 3f1h s VAL 63 Cb -0.12 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3f1h s VAL 63 CO 0.02 0.14 -0.09 -0.60 0.00 0.00 0.00 175.10 174.57 3f1h s ARG 64 N -2.18 1.13 0.32 2.72 3.52 0.15 -1.26 118.95 123.35 3f1h s ARG 64 Ca 0.23 -0.31 -0.01 0.00 -0.13 0.00 0.00 55.73 55.51 3f1h s ARG 64 Cb -0.11 -1.02 0.01 0.00 -1.56 0.00 0.00 34.95 32.26 3f1h s ARG 64 CO 0.15 0.07 0.44 0.36 -0.81 0.00 0.00 175.30 175.52 3f1h n LYS 65 N 3.50 0.64 -3.47 5.12 2.85 0.06 -0.68 118.16 126.18 3f1h n LYS 65 Ca -0.20 -2.62 -0.27 0.00 -1.05 0.00 0.00 58.31 54.17 3f1h n LYS 65 Cb 0.53 2.50 -0.10 0.00 -0.65 0.00 0.00 35.03 37.31 3f1h n LYS 65 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3f1h n VAL 66 N -0.54 -0.49 -2.40 0.58 0.31 -1.26 0.82 118.33 115.35 3f1h n VAL 66 Ca 0.01 -3.83 -0.43 0.00 -0.01 0.00 0.00 64.34 60.08 3f1h n VAL 66 Cb 0.54 -1.80 -0.02 0.00 -0.91 0.00 0.00 33.84 31.65 3f1h n VAL 66 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3f1h s SER 67 N -0.46 6.69 -1.04 4.52 0.15 -0.70 -4.02 113.70 118.84 3f1h s SER 67 Ca 0.32 1.30 -0.09 0.00 0.70 0.00 0.00 55.95 58.18 3f1h s SER 67 Cb 0.04 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 3f1h s SER 67 CO -0.18 -1.05 0.87 -1.22 1.20 0.00 0.00 173.24 172.86 3f1h n TYR 68 N 7.56 -2.38 0.00 3.44 4.01 -1.26 -2.72 117.16 125.80 3f1h n TYR 68 Ca 0.15 0.79 0.00 0.00 -0.16 0.00 0.00 57.90 58.68 3f1h n TYR 68 Cb 0.46 -3.95 0.00 0.00 -0.31 0.00 0.00 39.34 35.54 3f1h n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f1h n GLY 69 N -1.39 1.80 3.78 2.72 0.00 -1.26 -4.93 105.19 105.91 3f1h n GLY 69 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3f1h n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1h s VAL 70 N -0.11 5.21 0.13 1.61 1.01 -1.10 -5.06 120.40 122.08 3f1h s VAL 70 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 3f1h s VAL 70 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 3f1h s VAL 70 CO 0.00 0.47 0.98 -0.83 0.00 0.00 0.00 175.10 175.72 3f1h s GLY 71 N -0.21 2.99 -0.02 4.51 0.00 -1.26 -1.72 107.32 111.60 3f1h s GLY 71 Ca 0.20 0.61 0.03 0.00 0.00 0.00 0.00 44.72 45.57 3f1h s GLY 71 CO 0.08 1.48 -0.11 0.14 0.00 0.00 0.00 173.10 174.69 3f1h s VAL 72 N -0.09 0.91 -0.04 1.40 1.01 0.24 -4.95 120.40 118.89 3f1h s VAL 72 Ca 0.47 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.04 3f1h s VAL 72 Cb -0.24 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 3f1h s VAL 72 CO 0.31 0.27 -0.17 -1.61 0.00 0.00 0.00 175.10 173.89 3f1h s GLU 73 N -0.04 1.70 0.24 2.72 2.02 -1.26 -0.76 118.70 123.32 3f1h s GLU 73 Ca 0.00 -0.62 0.08 0.00 0.02 0.00 0.00 54.97 54.45 3f1h s GLU 73 Cb -0.07 -1.52 -0.05 0.00 0.10 0.00 0.00 34.13 32.59 3f1h s GLU 73 CO 0.00 0.28 -0.12 1.03 0.02 0.00 0.00 175.26 176.47 3f1h s ARG 74 N -0.09 1.44 -0.01 1.61 0.52 -0.39 -4.97 118.95 117.07 3f1h s ARG 74 Ca -0.01 -1.67 0.03 0.00 -0.52 0.00 0.00 55.73 53.56 3f1h s ARG 74 Cb -0.10 -1.21 -0.01 0.00 0.52 0.00 0.00 34.95 34.15 3f1h s ARG 74 CO 0.01 0.16 -0.09 0.42 0.02 0.00 0.00 175.30 175.82 3f1h s ILE 75 N -2.93 0.70 -0.03 1.52 1.09 -1.26 -1.11 121.20 119.18 3f1h s ILE 75 Ca 0.26 -0.39 0.02 0.00 -1.10 0.00 0.00 60.65 59.44 3f1h s ILE 75 Cb 0.00 -0.59 0.01 0.00 -1.06 0.00 0.00 42.46 40.82 3f1h s ILE 75 CO 0.09 0.19 -0.10 -0.36 -0.10 0.00 0.00 174.94 174.67 3f1h s PHE 76 N -0.23 1.05 -0.12 3.97 0.40 -0.49 -4.99 117.98 117.57 3f1h s PHE 76 Ca 0.03 -0.29 -0.29 0.00 -0.60 0.00 0.00 56.93 55.78 3f1h s PHE 76 Cb -0.04 -0.76 -0.05 0.00 0.51 0.00 0.00 43.02 42.68 3f1h s PHE 76 CO -0.00 -0.13 1.86 -2.14 0.70 0.00 0.00 175.22 175.50 3f1h s PRO 77 N 0.30 3.80 0.13 0.24 0.02 -1.26 -2.68 135.00 135.55 3f1h s PRO 77 Ca -0.05 2.09 0.06 0.00 0.02 0.00 0.00 61.00 63.11 3f1h s PRO 77 Cb -0.10 -4.14 0.32 0.00 0.02 0.00 0.00 34.50 30.60 3f1h s PRO 77 CO 0.01 -1.32 1.05 -0.11 -0.33 0.00 0.00 177.00 176.30 3f1h n LEU 78 N 8.74 0.15 -0.67 -5.54 -0.00 -0.67 0.32 117.00 119.33 3f1h n LEU 78 Ca 0.21 0.44 0.06 0.00 -0.00 0.00 0.00 56.01 56.72 3f1h n LEU 78 Cb 0.44 -0.43 0.14 0.00 -0.00 0.00 0.00 43.42 43.57 3f1h n LEU 78 CO 0.66 -0.49 0.33 1.41 -0.00 0.00 0.00 177.39 179.29 3f1h n HIS 79 N -1.64 0.00 -1.97 1.96 8.25 -1.26 -4.82 115.22 115.74 3f1h n HIS 79 Ca -0.00 -1.07 -0.42 0.00 -0.26 0.00 0.00 57.72 55.96 3f1h n HIS 79 Cb 0.21 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 3f1h n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3f1h s SER 80 N -2.73 6.63 0.00 0.41 0.15 0.15 -4.67 113.70 113.63 3f1h s SER 80 Ca 0.33 2.50 -0.01 0.00 0.70 0.00 0.00 55.95 59.47 3f1h s SER 80 Cb 0.33 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 62.01 3f1h s SER 80 CO -0.07 -0.83 1.52 -2.65 1.20 0.00 0.00 173.24 172.42 3f1h n PRO 81 N 4.82 0.76 -0.09 5.44 -0.02 -1.26 -2.64 135.00 142.01 3f1h n PRO 81 Ca 0.15 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3f1h n PRO 81 Cb 0.40 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 3f1h n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3f1h n LEU 82 N 2.04 0.00 -4.19 2.45 4.77 -1.26 -5.00 117.00 115.82 3f1h n LEU 82 Ca 0.08 -0.40 -0.40 0.00 -0.03 0.00 0.00 56.01 55.26 3f1h n LEU 82 Cb 0.37 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 3f1h n LEU 82 CO 0.06 0.34 0.08 -0.63 -1.33 0.00 0.00 177.39 175.91 3f1h s ILE 83 N 0.00 4.25 0.05 -0.08 1.01 -1.08 -2.13 121.20 123.22 3f1h s ILE 83 Ca 0.00 -2.39 -0.26 0.00 0.00 0.00 0.00 60.65 58.01 3f1h s ILE 83 Cb 0.00 -3.75 -0.13 0.00 0.01 0.00 0.00 42.46 38.59 3f1h s ILE 83 CO 0.00 -0.86 1.39 -0.61 0.00 0.00 0.00 174.94 174.86 3f1h h GLN 84 N 7.75 -0.81 -5.07 2.79 4.15 -1.72 -3.46 115.11 118.75 3f1h h GLN 84 Ca -0.07 0.06 -0.57 0.00 0.77 0.00 0.00 58.65 58.84 3f1h h GLN 84 Cb 1.02 0.18 -0.13 0.00 0.21 0.00 0.00 27.48 28.76 3f1h h GLN 84 CO 0.77 -0.54 -0.52 0.15 -1.93 0.00 0.00 178.83 176.76 3f1h s LYS 85 N -5.03 1.94 -0.33 1.69 1.02 -1.26 -5.03 119.74 112.74 3f1h s LYS 85 Ca -0.13 -2.19 0.06 0.00 0.02 0.00 0.00 55.97 53.74 3f1h s LYS 85 Cb 0.02 -0.74 0.19 0.00 -0.52 0.00 0.00 37.83 36.79 3f1h s LYS 85 CO 0.42 -0.44 0.61 -1.50 -0.92 0.00 0.00 175.35 173.51 3f1h s ILE 86 N -3.17 -0.99 -0.14 2.17 2.07 -1.26 -2.53 121.20 117.34 3f1h s ILE 86 Ca 0.23 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.32 3f1h s ILE 86 Cb 0.03 -0.63 -0.05 0.00 0.13 0.00 0.00 42.46 41.94 3f1h s ILE 86 CO 0.13 0.00 0.33 -1.81 -1.91 0.00 0.00 174.94 171.68 3f1h s ASP 87 N 2.48 6.50 0.32 4.50 1.11 -0.90 -4.59 116.67 126.09 3f1h s ASP 87 Ca 0.12 0.59 -0.27 0.00 0.18 0.00 0.00 52.55 53.17 3f1h s ASP 87 Cb -0.08 -2.20 -0.09 0.00 1.07 0.00 0.00 42.92 41.62 3f1h s ASP 87 CO -0.19 0.10 1.01 0.27 1.18 0.00 0.00 175.17 177.54 3f1h s ILE 88 N 0.39 3.86 0.00 0.77 -5.25 -1.26 -1.62 121.20 118.09 3f1h s ILE 88 Ca 0.19 1.65 0.00 0.00 -0.99 0.00 0.00 60.65 61.49 3f1h s ILE 88 Cb -0.14 -3.96 0.00 0.00 2.95 0.00 0.00 42.46 41.31 3f1h s ILE 88 CO 0.06 0.23 0.41 1.33 -1.79 0.00 0.00 174.94 175.17 3f1h n VAL 89 N 0.72 0.06 0.00 8.37 0.24 -1.11 -4.92 118.33 121.69 3f1h n VAL 89 Ca 0.01 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3f1h n VAL 89 Cb 0.48 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 3f1h n VAL 89 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3f1h n GLN 90 N -0.03 0.00 -4.35 7.34 -0.06 -1.20 -4.94 117.38 114.13 3f1h n GLN 90 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.81 3f1h n GLN 90 Cb 0.08 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.13 3f1h n GLN 90 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3f1h s ARG 91 N -2.00 0.80 0.05 3.69 0.52 -1.26 -2.72 118.95 118.03 3f1h s ARG 91 Ca 0.00 -0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 54.69 3f1h s ARG 91 Cb 0.00 -0.76 -0.04 0.00 0.52 0.00 0.00 34.95 34.67 3f1h s ARG 91 CO 0.00 0.20 -0.02 0.20 0.02 0.00 0.00 175.30 175.70 3f1h s GLY 92 N -0.62 0.42 -0.18 -3.53 0.00 -0.83 -1.13 107.32 101.45 3f1h s GLY 92 Ca 0.02 -1.08 -0.29 0.00 0.00 0.00 0.00 44.72 43.37 3f1h s GLY 92 CO 0.00 -1.19 1.78 -1.60 0.00 0.00 0.00 173.10 172.09 3f1h s ARG 93 N -3.51 3.74 -0.07 2.90 6.06 -1.26 -4.57 118.95 122.23 3f1h s ARG 93 Ca 0.03 1.88 -0.00 0.00 -2.50 0.00 0.00 55.73 55.14 3f1h s ARG 93 Cb 0.05 -4.11 -0.00 0.00 0.06 0.00 0.00 34.95 30.94 3f1h s ARG 93 CO -0.09 -1.38 -0.00 0.00 -2.50 0.00 0.00 175.30 171.33 3f1h h ALA 94 N 11.46 0.00 0.00 6.12 0.00 -1.82 -3.41 119.26 131.60 3f1h h ALA 94 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3f1h h ALA 94 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3f1h h ALA 94 CO 0.98 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 178.10 3f1h n ARG 95 N -4.04 0.00 -3.71 0.00 3.00 -1.26 -4.89 116.66 105.76 3f1h n ARG 95 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 3f1h n ARG 95 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 32.46 28.99 3f1h n ARG 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3f1h s ARG 96 N -0.45 1.50 0.00 -0.14 3.52 -1.26 -5.14 118.95 116.98 3f1h s ARG 96 Ca 0.00 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 3f1h s ARG 96 Cb 0.00 0.57 0.00 0.00 -1.56 0.00 0.00 34.95 33.96 3f1h s ARG 96 CO 0.00 -0.66 0.00 0.00 -0.81 0.00 0.00 175.30 173.83 3f1h n ALA 97 N -0.39 0.00 -2.42 6.12 0.00 -1.26 -4.88 120.51 117.68 3f1h n ALA 97 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 3f1h n ALA 97 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 3f1h n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3f1h s LYS 98 N 0.00 4.32 -0.48 0.00 3.01 -1.26 -4.75 119.74 120.58 3f1h s LYS 98 Ca 0.00 1.71 0.08 0.00 -1.01 0.00 0.00 55.97 56.75 3f1h s LYS 98 Cb 0.00 -3.60 0.36 0.00 -1.01 0.00 0.00 37.83 33.59 3f1h s LYS 98 CO 0.00 -0.51 0.91 1.47 0.51 0.00 0.00 175.35 177.73 3f1h n LEU 99 N 5.46 3.26 0.00 3.17 -0.00 -0.85 -4.84 117.00 123.20 3f1h n LEU 99 Ca 0.12 -5.29 0.06 0.00 -0.00 0.00 0.00 56.01 50.89 3f1h n LEU 99 Cb 0.46 -0.11 0.25 0.00 -0.00 0.00 0.00 43.42 44.02 3f1h n LEU 99 CO 0.56 2.27 0.67 -1.22 -0.00 0.00 0.00 177.39 179.66 3f1h n TYR 100 N -0.11 0.00 0.29 1.47 4.02 -1.26 -2.90 117.16 118.66 3f1h n TYR 100 Ca 0.29 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.34 3f1h n TYR 100 Cb 0.53 -0.45 0.87 0.00 -0.02 0.00 0.00 39.34 40.27 3f1h n TYR 100 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3f1h h PHE 101 N 0.00 0.00 0.00 -0.72 -0.00 -1.95 -1.94 116.94 112.33 3f1h h PHE 101 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 3f1h h PHE 101 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.12 3f1h h PHE 101 CO 0.00 0.06 -0.09 -0.84 -0.00 0.00 0.00 178.31 177.44 3f1h h ILE 102 N 0.00 0.63 0.07 0.88 -0.00 -1.88 -2.98 117.51 114.23 3f1h h ILE 102 Ca -0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 64.86 64.50 3f1h h ILE 102 Cb 0.22 1.23 -0.02 0.00 -0.00 0.00 0.00 36.82 38.25 3f1h h ILE 102 CO 0.01 0.08 -0.20 0.03 -0.00 0.00 0.00 178.15 178.07 3f1h h ARG 103 N 0.00 -0.29 -0.06 0.16 3.08 -1.61 -3.12 114.38 112.54 3f1h h ARG 103 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3f1h h ARG 103 Cb 0.22 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3f1h h ARG 103 CO 0.01 -0.20 0.00 0.09 -1.07 0.00 0.00 179.97 178.81 3f1h n ASN 104 N -3.57 0.06 -2.70 7.04 3.02 -1.13 -3.46 115.26 114.51 3f1h n ASN 104 Ca -0.03 -1.12 -0.04 0.00 -0.03 0.00 0.00 54.58 53.36 3f1h n ASN 104 Cb 0.16 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.33 3f1h n ASN 104 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3f1h n LEU 105 N -0.43 -2.14 -4.67 3.41 0.00 -1.19 -5.15 117.00 106.83 3f1h n LEU 105 Ca 0.00 -1.76 -0.35 0.00 0.00 0.00 0.00 56.01 53.90 3f1h n LEU 105 Cb 0.01 0.63 -0.09 0.00 0.00 0.00 0.00 43.42 43.97 3f1h n LEU 105 CO 0.00 1.49 -0.24 -0.94 0.00 0.00 0.00 177.39 177.71 3f1h s SER 106 N 0.68 5.76 0.00 1.96 1.04 -1.18 -3.97 113.70 117.99 3f1h s SER 106 Ca 0.26 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.82 3f1h s SER 106 Cb 0.10 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.25 3f1h s SER 106 CO -0.10 0.19 0.00 -0.90 0.98 0.00 0.00 173.24 173.42 3f1h n ASP 107 N 3.41 0.00 0.05 7.02 5.75 -1.26 -4.84 116.55 126.68 3f1h n ASP 107 Ca -0.17 0.00 0.21 0.00 -0.01 0.00 0.00 54.79 54.83 3f1h n ASP 107 Cb 0.52 0.00 0.68 0.00 -1.03 0.00 0.00 41.12 41.29 3f1h n ASP 107 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3f1h h ARG 108 N 0.00 0.00 -0.11 0.11 2.43 -2.01 0.19 114.38 114.99 3f1h h ARG 108 Ca 0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 3f1h h ARG 108 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3f1h h ARG 108 CO 0.00 0.00 -0.87 0.93 -1.51 0.00 0.00 179.97 178.52 3f1h h GLU 109 N 0.00 0.77 0.00 0.20 4.39 -1.90 -3.08 114.58 114.97 3f1h h GLU 109 Ca 0.24 -0.69 -0.02 0.00 0.34 0.00 0.00 59.36 59.23 3f1h h GLU 109 Cb 1.45 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 30.26 3f1h h GLU 109 CO -0.00 1.28 -0.10 0.97 -1.16 0.00 0.00 179.01 180.01 3f1h h ILE 110 N 0.50 0.82 0.00 3.13 6.09 -0.76 -3.15 117.51 124.14 3f1h h ILE 110 Ca -0.08 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 3f1h h ILE 110 Cb 1.50 1.21 0.00 0.00 0.47 0.00 0.00 36.82 40.00 3f1h h ILE 110 CO 0.18 0.09 0.00 0.54 -3.07 0.00 0.00 178.15 175.89 3f1h n ARG 111 N -4.06 0.00 -0.57 2.19 5.12 -1.10 -3.50 116.66 114.73 3f1h n ARG 111 Ca -0.02 0.35 -0.19 0.00 -1.93 0.00 0.00 57.85 56.05 3f1h n ARG 111 Cb 0.18 -1.12 -0.02 0.00 -1.16 0.00 0.00 32.46 30.34 3f1h n ARG 111 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3f1h n ARG 112 N -1.55 1.38 0.00 5.56 -4.01 -1.17 -0.36 116.66 116.51 3f1h n ARG 112 Ca 0.00 -1.22 0.00 0.00 -1.04 0.00 0.00 57.85 55.59 3f1h n ARG 112 Cb 0.00 -2.38 0.00 0.00 -3.04 0.00 0.00 32.46 27.04 3f1h n ARG 112 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3f1h n LYS 113 N 4.87 0.00 -3.15 2.89 3.00 -1.22 -4.92 118.16 119.63 3f1h n LYS 113 Ca 0.33 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.43 3f1h n LYS 113 Cb 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.11 3f1h n LYS 113 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3f1h n LEU 114 N 0.00 -0.52 0.00 3.14 4.77 0.52 -4.90 117.00 120.01 3f1h n LEU 114 Ca 0.00 -4.37 0.00 0.00 -0.03 0.00 0.00 56.01 51.61 3f1h n LEU 114 Cb 0.00 0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3f1h n LEU 114 CO 0.00 2.01 0.16 -2.11 -1.33 0.00 0.00 177.39 176.12 3f1h n ARG 115 N 1.79 0.00 -3.50 3.23 0.00 -1.24 -4.56 116.66 112.38 3f1h n ARG 115 Ca 0.21 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.08 3f1h n ARG 115 Cb 0.53 -0.82 -0.05 0.00 -0.00 0.00 0.00 32.46 32.12 3f1h n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3f1h s ALA 116 N -2.01 -2.70 -1.37 2.89 0.00 -1.26 -4.76 121.76 112.54 3f1h s ALA 116 Ca 0.00 2.02 -0.09 0.00 0.00 0.00 0.00 51.96 53.89 3f1h s ALA 116 Cb 0.00 -1.99 -0.09 0.00 0.00 0.00 0.00 23.12 21.03 3f1h s ALA 116 CO 0.00 -0.60 3.00 -3.47 0.00 0.00 0.00 175.76 174.70 3f1h n ASP 117 N 3.96 8.23 0.30 0.00 4.64 -0.28 -4.52 116.55 128.87 3f1h n ASP 117 Ca -0.14 -2.62 0.07 0.00 -1.38 0.00 0.00 54.79 50.73 3f1h n ASP 117 Cb 0.56 -1.52 0.40 0.00 -1.04 0.00 0.00 41.12 39.52 3f1h n ASP 117 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 3f1h h ARG 118 N 4.67 0.00 0.00 -0.67 3.08 -1.97 0.57 114.38 120.07 3f1h h ARG 118 Ca 0.77 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.82 3f1h h ARG 118 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3f1h h ARG 118 CO 1.54 0.00 0.00 1.17 -1.07 0.00 0.00 179.97 181.61 3f1h n LYS 119 N -2.57 0.00 -0.30 0.04 4.81 -1.26 -2.35 118.16 116.53 3f1h n LYS 119 Ca -0.01 0.47 0.01 0.00 -0.87 0.00 0.00 58.31 57.92 3f1h n LYS 119 Cb 0.64 -1.33 0.15 0.00 0.02 0.00 0.00 35.03 34.50 3f1h n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3f1h h ARG 120 N 0.00 0.87 -0.84 1.64 3.08 -0.84 -1.82 114.38 116.48 3f1h h ARG 120 Ca 0.00 -0.05 0.16 0.00 0.07 0.00 0.00 59.98 60.16 3f1h h ARG 120 Cb 0.00 -0.20 -0.10 0.00 0.08 0.00 0.00 29.97 29.75 3f1h h ARG 120 CO 0.00 0.58 0.40 0.82 -1.07 0.00 0.00 179.97 180.70 3f1h h ILE 121 N 0.90 0.65 -0.06 2.04 2.04 -0.18 0.44 117.51 123.35 3f1h h ILE 121 Ca 0.38 -0.18 -0.12 0.00 1.00 0.00 0.00 64.86 65.94 3f1h h ILE 121 Cb 0.24 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3f1h h ILE 121 CO -0.20 0.10 -0.50 0.44 0.00 0.00 0.00 178.15 177.99 3f1h h ASP 122 N 0.53 0.15 -0.27 1.72 3.32 -0.94 -0.95 116.42 119.98 3f1h h ASP 122 Ca 0.48 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.36 3f1h h ASP 122 Cb 0.74 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 3f1h h ASP 122 CO -0.41 0.63 -0.14 0.11 -1.72 0.00 0.00 179.24 177.71 3f1h h LYS 123 N 0.11 0.69 0.00 3.56 1.57 -0.50 -1.48 116.57 120.53 3f1h h LYS 123 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3f1h h LYS 123 Cb 0.92 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3f1h h LYS 123 CO 0.07 0.80 0.00 -0.25 -0.57 0.00 0.00 179.45 179.51 3f1h n ASP 124 N -4.16 0.00 -0.14 0.86 9.92 0.13 -1.98 116.55 121.19 3f1h n ASP 124 Ca 0.01 0.49 -0.04 0.00 -0.53 0.00 0.00 54.79 54.72 3f1h n ASP 124 Cb 0.37 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.87 3f1h n ASP 124 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3f1h h ARG 125 N 0.00 0.01 0.00 -1.24 2.47 -1.37 0.26 114.38 114.51 3f1h h ARG 125 Ca 0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3f1h h ARG 125 Cb 0.00 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3f1h h ARG 125 CO 0.00 0.01 0.00 0.00 0.56 0.00 0.00 179.97 180.54 3f1h n ALA 126 N -2.75 -0.16 0.04 0.04 0.00 -0.56 -1.44 120.51 115.69 3f1h n ALA 126 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.48 3f1h n ALA 126 Cb 0.24 0.06 0.03 0.00 0.00 0.00 0.00 19.45 19.77 3f1h n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1h n ALA 127 N -1.19 1.11 0.00 0.00 0.00 -0.84 -0.31 120.51 119.29 3f1h n ALA 127 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 3f1h n ALA 127 Cb 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 3f1h n ALA 127 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3f1h h GLU 128 N 0.00 -0.01 0.00 0.00 4.81 -0.11 -2.94 114.58 116.33 3f1h h GLU 128 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3f1h h GLU 128 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3f1h h GLU 128 CO 0.00 -0.01 -0.36 0.00 -0.73 0.00 0.00 179.01 177.92 3f1h h ARG 129 N -0.03 0.00 0.82 1.92 3.08 -0.84 -2.48 114.38 116.85 3f1h h ARG 129 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3f1h h ARG 129 Cb 0.01 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.07 3f1h h ARG 129 CO 0.00 0.36 -0.39 0.00 -1.07 0.00 0.00 179.97 178.86 3f1h h ALA 130 N 1.64 -1.10 0.00 0.04 0.00 -0.82 0.10 119.26 119.12 3f1h h ALA 130 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3f1h h ALA 130 Cb 0.77 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3f1h h ALA 130 CO 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 179.25 178.19 3f1h h ALA 131 N -0.97 1.00 -0.02 0.00 0.00 -1.46 0.14 119.26 117.95 3f1h h ALA 131 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 3f1h h ALA 131 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3f1h h ALA 131 CO 0.19 0.00 -0.92 0.87 0.00 0.00 0.00 179.25 179.39 3f1h h LYS 132 N 0.00 0.46 -0.92 0.00 1.57 -0.93 -3.14 116.57 113.62 3f1h h LYS 132 Ca 0.00 -0.47 0.11 0.00 -1.87 0.00 0.00 60.65 58.42 3f1h h LYS 132 Cb 0.09 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 3f1h h LYS 132 CO 0.00 1.12 0.59 0.93 -0.57 0.00 0.00 179.45 181.52 3f1h h GLU 133 N 0.27 0.85 -0.31 3.15 4.39 0.10 0.34 114.58 123.37 3f1h h GLU 133 Ca -0.08 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3f1h h GLU 133 Cb 1.54 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 3f1h h GLU 133 CO 0.16 0.56 0.00 0.39 -1.16 0.00 0.00 179.01 178.96 3f1h n GLU 134 N -4.55 1.59 0.00 2.33 -0.58 -1.14 -0.34 120.64 117.95 3f1h n GLU 134 Ca 0.16 -0.80 0.00 0.00 -0.42 0.00 0.00 57.16 56.11 3f1h n GLU 134 Cb 0.35 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 3f1h n GLU 134 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3f1h n VAL 135 N 0.14 0.00 0.03 2.62 0.31 -0.84 -4.72 118.33 115.88 3f1h n VAL 135 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.29 3f1h n VAL 135 Cb 0.23 0.11 -0.08 0.00 -0.91 0.00 0.00 33.84 33.19 3f1h n VAL 135 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3f1h h GLN 136 N 0.00 -0.16 -0.01 5.55 4.20 -0.34 -3.51 115.11 120.83 3f1h h GLN 136 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3f1h h GLN 136 Cb 0.02 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3f1h h GLN 136 CO 0.00 0.31 0.00 1.63 -0.67 0.00 0.00 178.83 180.10