#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f n ASN 2 N 0.00 0.37 0.00 6.12 3.02 -1.26 -2.70 115.26 120.81 3f1f n ASN 2 Ca 0.00 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 3f1f n ASN 2 Cb 0.00 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.89 3f1f n ASN 2 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3f1f n ARG 3 N 7.23 0.00 -0.34 3.52 1.85 -1.26 -5.02 116.66 122.64 3f1f n ARG 3 Ca 0.41 0.00 0.33 0.00 -1.00 0.00 0.00 57.85 57.59 3f1f n ARG 3 Cb 0.40 0.00 0.51 0.00 -1.05 0.00 0.00 32.46 32.31 3f1f n ARG 3 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3f1f n GLY 4 N 0.00 -0.76 0.06 2.89 0.00 -1.10 0.24 105.19 106.54 3f1f n GLY 4 Ca 0.00 0.43 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 3f1f n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1f h ALA 5 N 0.61 0.00 -1.07 4.61 0.00 -1.95 -3.02 119.26 118.44 3f1f h ALA 5 Ca 0.58 -0.37 0.28 0.00 0.00 0.00 0.00 54.91 55.41 3f1f h ALA 5 Cb 2.91 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 20.62 3f1f h ALA 5 CO -0.01 0.01 0.69 1.25 0.00 0.00 0.00 179.25 181.19 3f1f h LEU 6 N -1.00 0.40 0.32 0.00 5.85 0.28 0.51 115.31 121.68 3f1f h LEU 6 Ca -0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3f1f h LEU 6 Cb 0.73 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3f1f h LEU 6 CO -0.00 0.06 -0.24 0.40 -0.34 0.00 0.00 178.44 178.32 3f1f h ILE 7 N 0.34 0.50 -0.54 4.05 1.08 -1.07 -2.13 117.51 119.74 3f1f h ILE 7 Ca 0.61 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 65.19 3f1f h ILE 7 Cb 1.64 0.50 -0.11 0.00 -3.07 0.00 0.00 36.82 35.78 3f1f h ILE 7 CO -0.29 0.00 -0.18 0.11 -0.69 0.00 0.00 178.15 177.10 3f1f h LYS 8 N -0.56 -0.05 -0.16 2.37 1.57 0.04 -0.06 116.57 119.72 3f1f h LYS 8 Ca -0.03 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3f1f h LYS 8 Cb 0.48 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3f1f h LYS 8 CO 0.00 -0.03 0.23 -0.07 -0.57 0.00 0.00 179.45 179.01 3f1f h LEU 9 N -0.05 0.00 -0.27 2.94 3.38 -0.47 0.35 115.31 121.19 3f1f h LEU 9 Ca 0.25 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.02 3f1f h LEU 9 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3f1f h LEU 9 CO -0.58 0.00 -0.70 0.58 0.09 0.00 0.00 178.44 177.83 3f1f h VAL 10 N 0.00 1.30 -0.02 1.22 2.07 -0.35 -2.45 116.25 118.02 3f1f h VAL 10 Ca 0.08 -1.94 0.01 0.00 0.82 0.00 0.00 66.70 65.66 3f1f h VAL 10 Cb 0.54 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3f1f h VAL 10 CO -0.00 0.61 0.04 -0.33 0.02 0.00 0.00 177.57 177.91 3f1f h GLU 11 N 0.51 0.00 -6.02 1.57 3.07 -0.82 -3.39 114.58 109.50 3f1f h GLU 11 Ca -0.03 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.24 3f1f h GLU 11 Cb 1.31 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.12 3f1f h GLU 11 CO 0.14 0.00 0.57 -1.12 -1.40 0.00 0.00 179.01 177.20 3f1f s SER 12 N -5.70 6.69 0.00 1.42 0.01 -0.92 -4.50 113.70 110.69 3f1f s SER 12 Ca -0.05 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.82 3f1f s SER 12 Cb 0.14 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.92 3f1f s SER 12 CO 0.49 -0.81 0.00 -2.11 0.41 0.00 0.00 173.24 171.22 3f1f n ARG 13 N 6.65 0.00 0.00 12.44 1.85 -1.26 -4.80 116.66 131.54 3f1f n ARG 13 Ca 0.07 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 57.02 3f1f n ARG 13 Cb 0.48 0.00 0.64 0.00 -1.05 0.00 0.00 32.46 32.53 3f1f n ARG 13 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3f1f n TYR 14 N 0.00 0.00 -2.63 2.89 4.02 -1.26 -4.90 117.16 115.28 3f1f n TYR 14 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 3f1f n TYR 14 Cb 0.17 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 3f1f n TYR 14 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3f1f s VAL 15 N -2.00 4.02 0.68 -0.72 -7.23 -1.26 -4.87 120.40 109.02 3f1f s VAL 15 Ca 0.33 1.85 -0.01 0.00 -1.81 0.00 0.00 61.98 62.33 3f1f s VAL 15 Cb 0.15 -4.18 0.10 0.00 0.56 0.00 0.00 36.38 33.01 3f1f s VAL 15 CO 0.25 0.36 0.94 -0.13 -0.31 0.00 0.00 175.10 176.22 3f1f s ARG 16 N -0.67 1.92 0.00 4.82 1.81 -1.26 -5.03 118.95 120.54 3f1f s ARG 16 Ca 0.46 -0.97 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 3f1f s ARG 16 Cb -0.27 -2.36 0.00 0.00 -0.45 0.00 0.00 34.95 31.87 3f1f s ARG 16 CO 0.34 -1.26 0.00 -2.37 -0.68 0.00 0.00 175.30 171.33 3f1f n THR 17 N -2.72 0.00 0.03 0.02 5.66 -1.26 -4.92 114.28 111.09 3f1f n THR 17 Ca 0.13 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.02 3f1f n THR 17 Cb 0.60 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.33 3f1f n THR 17 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 3f1f h ASP 18 N 0.00 -0.11 -1.58 1.09 2.03 -2.01 -3.44 116.42 112.40 3f1f h ASP 18 Ca 0.00 0.02 -0.66 0.00 -0.73 0.00 0.00 57.03 55.66 3f1f h ASP 18 Cb 0.00 0.06 0.10 0.00 -0.83 0.00 0.00 39.33 38.65 3f1f h ASP 18 CO 0.00 -0.05 -0.13 0.18 -1.03 0.00 0.00 179.24 178.20 3f1f n LEU 19 N -5.15 0.25 -4.90 0.15 4.77 -1.26 -4.94 117.00 105.92 3f1f n LEU 19 Ca -0.06 1.15 -0.28 0.00 -0.03 0.00 0.00 56.01 56.79 3f1f n LEU 19 Cb 0.08 -1.09 0.03 0.00 -2.33 0.00 0.00 43.42 40.11 3f1f n LEU 19 CO 0.30 -2.12 0.60 -2.84 -1.33 0.00 0.00 177.39 172.01 3f1f s PRO 20 N -0.93 2.97 0.44 3.23 0.02 -1.26 -5.06 135.00 134.41 3f1f s PRO 20 Ca 0.67 0.18 -0.25 0.00 0.02 0.00 0.00 61.00 61.63 3f1f s PRO 20 Cb -0.89 -2.19 -0.08 0.00 0.02 0.00 0.00 34.50 31.36 3f1f s PRO 20 CO 0.56 -0.76 1.25 -1.21 -0.33 0.00 0.00 177.00 176.51 3f1f s GLU 21 N -5.09 3.83 -0.30 5.54 2.02 -1.26 -5.02 118.70 118.41 3f1f s GLU 21 Ca 0.55 2.01 -0.13 0.00 0.02 0.00 0.00 54.97 57.42 3f1f s GLU 21 Cb -0.11 -2.59 0.18 0.00 0.10 0.00 0.00 34.13 31.71 3f1f s GLU 21 CO 0.47 -0.56 1.03 -0.59 0.02 0.00 0.00 175.26 175.63 3f1f s PHE 22 N -1.37 -0.58 0.21 1.61 -0.12 -1.26 -4.95 117.98 111.53 3f1f s PHE 22 Ca 0.60 0.63 0.06 0.00 -0.05 0.00 0.00 56.93 58.18 3f1f s PHE 22 Cb -0.35 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 3f1f s PHE 22 CO 0.43 -0.32 0.15 -0.98 -0.05 0.00 0.00 175.22 174.45 3f1f s ARG 23 N 2.93 2.85 0.58 1.99 1.70 -1.26 -5.06 118.95 122.68 3f1f s ARG 23 Ca -0.00 -1.00 -0.18 0.00 -0.47 0.00 0.00 55.73 54.08 3f1f s ARG 23 Cb -0.10 -2.56 -0.06 0.00 -0.57 0.00 0.00 34.95 31.65 3f1f s ARG 23 CO -0.12 0.44 0.81 -0.35 -1.08 0.00 0.00 175.30 175.00 3f1f n PRO 24 N -0.74 0.77 -1.74 3.89 -0.04 -1.26 -3.76 135.00 132.11 3f1f n PRO 24 Ca -0.08 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3f1f n PRO 24 Cb 0.56 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 3f1f n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f1f n GLY 25 N 1.46 0.49 3.65 0.55 0.00 -1.10 -4.64 105.19 105.60 3f1f n GLY 25 Ca 0.13 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.74 3f1f n GLY 25 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f1f s ASP 26 N -2.79 -0.16 0.73 1.61 1.47 -1.25 -2.14 116.67 114.14 3f1f s ASP 26 Ca 0.00 0.26 -0.11 0.00 1.18 0.00 0.00 52.55 53.88 3f1f s ASP 26 Cb 0.00 1.06 0.03 0.00 -0.34 0.00 0.00 42.92 43.67 3f1f s ASP 26 CO 0.00 -0.04 1.07 0.28 0.68 0.00 0.00 175.17 177.16 3f1f s THR 27 N 1.10 3.72 -0.13 2.11 -1.32 -1.14 -3.53 115.64 116.45 3f1f s THR 27 Ca -0.08 0.56 -0.31 0.00 -1.21 0.00 0.00 61.69 60.64 3f1f s THR 27 Cb -0.03 -3.20 0.13 0.00 -1.51 0.00 0.00 72.50 67.89 3f1f s THR 27 CO -0.11 -0.73 1.07 0.54 -2.21 0.00 0.00 174.62 173.18 3f1f s VAL 28 N -2.99 0.00 -0.06 5.08 0.11 -0.47 -2.75 120.40 119.32 3f1f s VAL 28 Ca 0.59 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.67 3f1f s VAL 28 Cb -0.15 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 3f1f s VAL 28 CO 0.55 0.00 -0.12 0.00 -3.33 0.00 0.00 175.10 172.20 3f1f s ARG 29 N -2.17 1.60 -0.05 1.54 1.70 -0.56 -1.74 118.95 119.27 3f1f s ARG 29 Ca 0.05 -0.41 -0.04 0.00 -0.47 0.00 0.00 55.73 54.87 3f1f s ARG 29 Cb -0.01 -1.35 -0.04 0.00 -0.57 0.00 0.00 34.95 32.99 3f1f s ARG 29 CO -0.05 0.05 0.14 0.14 -1.08 0.00 0.00 175.30 174.50 3f1f s VAL 30 N 0.57 5.27 -0.35 4.99 -7.23 -0.78 -1.98 120.40 120.89 3f1f s VAL 30 Ca -0.12 -0.09 -0.14 0.00 -1.81 0.00 0.00 61.98 59.81 3f1f s VAL 30 Cb -0.15 -3.38 -0.01 0.00 0.56 0.00 0.00 36.38 33.40 3f1f s VAL 30 CO 0.03 0.44 0.32 -0.44 -0.31 0.00 0.00 175.10 175.14 3f1f s SER 31 N -1.54 6.14 -0.20 4.85 0.01 -1.07 -0.63 113.70 121.25 3f1f s SER 31 Ca 0.22 -0.35 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 3f1f s SER 31 Cb -0.12 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 3f1f s SER 31 CO 0.12 -0.32 -0.00 -0.47 0.41 0.00 0.00 173.24 172.98 3f1f s TYR 32 N 1.90 3.04 0.18 2.43 5.04 0.11 -2.01 117.35 128.05 3f1f s TYR 32 Ca 0.09 -0.44 -0.31 0.00 -2.44 0.00 0.00 57.07 53.97 3f1f s TYR 32 Cb -0.17 -2.08 -0.09 0.00 0.35 0.00 0.00 41.96 39.98 3f1f s TYR 32 CO 0.11 -0.22 1.40 0.15 -1.34 0.00 0.00 175.55 175.65 3f1f s LYS 33 N 0.95 4.31 0.06 4.97 1.02 -0.92 -1.87 119.74 128.26 3f1f s LYS 33 Ca 0.01 2.17 0.03 0.00 0.02 0.00 0.00 55.97 58.20 3f1f s LYS 33 Cb -0.14 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 3f1f s LYS 33 CO 0.02 -0.40 -0.09 0.08 -0.92 0.00 0.00 175.35 174.04 3f1f s VAL 34 N 0.51 0.70 -0.73 3.17 1.01 -1.22 -4.94 120.40 118.89 3f1f s VAL 34 Ca 0.61 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 3f1f s VAL 34 Cb -0.39 -0.88 0.19 0.00 0.00 0.00 0.00 36.38 35.30 3f1f s VAL 34 CO 0.36 -0.43 0.65 -1.59 0.00 0.00 0.00 175.10 174.09 3f1f s LYS 35 N -1.98 3.28 -0.57 2.72 -2.85 -1.26 -0.47 119.74 118.61 3f1f s LYS 35 Ca -0.05 -2.32 -0.28 0.00 -1.00 0.00 0.00 55.97 52.33 3f1f s LYS 35 Cb -0.08 -4.27 0.03 0.00 -2.06 0.00 0.00 37.83 31.45 3f1f s LYS 35 CO 0.00 -1.27 1.22 -2.00 0.10 0.00 0.00 175.35 173.40 3f1f s GLU 36 N 0.42 3.50 1.77 1.78 2.56 -1.19 -4.65 118.70 122.90 3f1f s GLU 36 Ca 0.15 0.31 0.00 0.00 0.00 0.00 0.00 54.97 55.43 3f1f s GLU 36 Cb -0.16 -4.02 0.00 0.00 2.00 0.00 0.00 34.13 31.95 3f1f s GLU 36 CO -0.06 -1.70 0.00 0.41 -0.56 0.00 0.00 175.26 173.36 3f1f n GLY 37 N 5.08 0.69 0.00 -1.50 0.00 -1.26 -2.79 105.19 105.40 3f1f n GLY 37 Ca 0.09 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.66 3f1f n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3f1f n ASN 38 N 3.53 1.87 -3.40 1.61 6.94 -1.26 -5.08 115.26 119.46 3f1f n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3f1f n ASN 38 Cb 0.00 0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 3f1f n ASN 38 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3f1f n ARG 39 N -1.66 0.48 -3.58 -3.83 1.85 -1.12 -4.95 116.66 103.86 3f1f n ARG 39 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.67 3f1f n ARG 39 Cb 0.21 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.48 3f1f n ARG 39 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3f1f s THR 40 N -0.23 -0.29 0.00 8.89 2.01 -1.26 -3.17 115.64 121.59 3f1f s THR 40 Ca 0.00 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.07 3f1f s THR 40 Cb 0.00 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.98 3f1f s THR 40 CO 0.00 -0.07 0.00 0.54 -0.69 0.00 0.00 174.62 174.40 3f1f n ARG 41 N 5.32 -0.01 -2.68 4.92 5.12 0.38 -4.83 116.66 124.88 3f1f n ARG 41 Ca -0.05 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.79 3f1f n ARG 41 Cb 0.50 0.00 0.08 0.00 -1.16 0.00 0.00 32.46 31.88 3f1f n ARG 41 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3f1f n ILE 42 N -1.51 0.43 -1.50 0.55 -6.64 -1.26 -3.46 119.36 105.96 3f1f n ILE 42 Ca 0.00 -2.16 -0.55 0.00 -1.77 0.00 0.00 62.75 58.27 3f1f n ILE 42 Cb 0.00 0.86 -0.06 0.00 -1.44 0.00 0.00 39.64 39.00 3f1f n ILE 42 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 3f1f n GLN 43 N -0.38 0.29 -3.74 6.28 7.27 -0.78 -4.19 117.38 122.13 3f1f n GLN 43 Ca 0.02 0.10 -0.30 0.00 0.07 0.00 0.00 57.00 56.90 3f1f n GLN 43 Cb 0.84 -1.54 -0.04 0.00 2.41 0.00 0.00 30.24 31.91 3f1f n GLN 43 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3f1f s ASP 44 N -0.11 6.42 -0.30 1.69 -0.00 -1.26 0.07 116.67 123.18 3f1f s ASP 44 Ca 0.83 0.43 -0.04 0.00 -0.00 0.00 0.00 52.55 53.78 3f1f s ASP 44 Cb -1.12 -2.02 0.10 0.00 -0.00 0.00 0.00 42.92 39.88 3f1f s ASP 44 CO 0.55 0.04 0.14 0.12 -0.00 0.00 0.00 175.17 176.02 3f1f s PHE 45 N -1.71 0.37 -0.25 4.23 5.36 0.20 -4.96 117.98 121.22 3f1f s PHE 45 Ca 0.39 -0.97 -0.10 0.00 -0.96 0.00 0.00 56.93 55.28 3f1f s PHE 45 Cb -0.12 -0.90 -0.05 0.00 -0.34 0.00 0.00 43.02 41.61 3f1f s PHE 45 CO 0.27 -0.83 0.16 -2.00 -1.46 0.00 0.00 175.22 171.36 3f1f s GLU 46 N 1.98 4.02 0.07 10.12 2.12 -1.26 -1.86 118.70 133.89 3f1f s GLU 46 Ca 0.10 -0.29 -0.20 0.00 0.36 0.00 0.00 54.97 54.93 3f1f s GLU 46 Cb -0.17 -3.54 0.07 0.00 0.26 0.00 0.00 34.13 30.75 3f1f s GLU 46 CO -0.33 0.01 0.95 0.41 -0.54 0.00 0.00 175.26 175.76 3f1f n GLY 47 N 4.43 0.51 3.75 -1.50 0.00 -0.71 -4.72 105.19 106.95 3f1f n GLY 47 Ca -0.15 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 3f1f n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f1f s ILE 48 N -2.10 4.87 -0.48 -0.61 1.09 0.15 -1.36 121.20 122.77 3f1f s ILE 48 Ca 0.22 1.41 -0.28 0.00 -1.10 0.00 0.00 60.65 60.90 3f1f s ILE 48 Cb -0.02 -4.01 0.00 0.00 -1.06 0.00 0.00 42.46 37.37 3f1f s ILE 48 CO 0.02 0.37 1.53 0.54 -0.10 0.00 0.00 174.94 177.30 3f1f s VAL 49 N 0.05 3.72 0.02 2.92 0.11 -1.23 0.02 120.40 126.00 3f1f s VAL 49 Ca 0.35 0.66 0.11 0.00 -2.93 0.00 0.00 61.98 60.16 3f1f s VAL 49 Cb -0.19 -4.16 -0.08 0.00 -1.53 0.00 0.00 36.38 30.41 3f1f s VAL 49 CO 0.19 -0.88 1.38 0.40 -3.33 0.00 0.00 175.10 172.86 3f1f h ILE 50 N 6.54 1.34 -1.42 7.04 5.03 -0.06 -2.90 117.51 133.09 3f1f h ILE 50 Ca -0.28 -2.83 0.13 0.00 -0.12 0.00 0.00 64.86 61.75 3f1f h ILE 50 Cb 1.12 2.62 -0.27 0.00 -3.03 0.00 0.00 36.82 37.26 3f1f h ILE 50 CO 1.13 0.75 0.36 -0.60 -0.68 0.00 0.00 178.15 179.11 3f1f s ARG 51 N -2.88 0.35 -0.19 2.37 3.00 -1.23 -1.95 118.95 118.42 3f1f s ARG 51 Ca 0.02 0.66 -0.07 0.00 -1.00 0.00 0.00 55.73 55.34 3f1f s ARG 51 Cb 0.09 0.15 -0.04 0.00 0.00 0.00 0.00 34.95 35.15 3f1f s ARG 51 CO 0.78 -0.08 0.04 0.42 0.00 0.00 0.00 175.30 176.46 3f1f s ILE 52 N 1.56 4.52 -0.66 4.11 1.01 -1.26 -1.59 121.20 128.89 3f1f s ILE 52 Ca -0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 3f1f s ILE 52 Cb -0.04 -3.04 0.17 0.00 0.01 0.00 0.00 42.46 39.56 3f1f s ILE 52 CO -0.15 0.44 0.49 -0.60 0.00 0.00 0.00 174.94 175.12 3f1f s ARG 53 N 0.60 2.71 0.26 2.79 3.52 0.77 -4.94 118.95 124.65 3f1f s ARG 53 Ca 0.02 -2.58 -0.30 0.00 -0.13 0.00 0.00 55.73 52.74 3f1f s ARG 53 Cb -0.13 -3.81 -0.09 0.00 -1.56 0.00 0.00 34.95 29.36 3f1f s ARG 53 CO 0.02 -1.19 1.10 1.03 -0.81 0.00 0.00 175.30 175.45 3f1f s ARG 54 N -0.15 4.63 -0.39 5.12 0.52 -1.26 -2.05 118.95 125.37 3f1f s ARG 54 Ca 0.18 1.79 0.07 0.00 -0.52 0.00 0.00 55.73 57.25 3f1f s ARG 54 Cb -0.19 -3.21 0.32 0.00 0.52 0.00 0.00 34.95 32.40 3f1f s ARG 54 CO -0.04 0.18 1.29 -1.71 0.02 0.00 0.00 175.30 175.04 3f1f n ASN 55 N 1.47 -1.77 0.00 0.23 5.15 -1.26 -4.94 115.26 114.14 3f1f n ASN 55 Ca -0.00 -2.34 0.00 0.00 -0.60 0.00 0.00 54.58 51.64 3f1f n ASN 55 Cb 0.45 1.05 0.00 0.00 -0.53 0.00 0.00 39.78 40.75 3f1f n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3f1f n GLY 56 N -0.55 3.14 3.34 8.20 0.00 -1.26 -4.00 105.19 114.06 3f1f n GLY 56 Ca -0.07 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3f1f n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3f1f n PHE 57 N 14.00 -1.42 -1.31 1.61 -0.00 -1.26 -2.29 117.46 126.79 3f1f n PHE 57 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 57.45 57.42 3f1f n PHE 57 Cb 0.00 -1.60 -0.02 0.00 -0.00 0.00 0.00 39.48 37.86 3f1f n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3f1f n ASN 58 N -2.90 -1.26 -4.76 -2.13 2.04 -1.26 -4.90 115.26 100.09 3f1f n ASN 58 Ca 0.01 0.15 -0.41 0.00 -0.44 0.00 0.00 54.58 53.89 3f1f n ASN 58 Cb 0.59 -1.46 -0.02 0.00 -2.53 0.00 0.00 39.78 36.36 3f1f n ASN 58 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 3f1f s THR 59 N -1.48 2.76 0.36 5.53 -1.32 -0.97 -4.74 115.64 115.78 3f1f s THR 59 Ca 0.00 0.69 0.08 0.00 -1.21 0.00 0.00 61.69 61.25 3f1f s THR 59 Cb 0.00 -3.44 -0.05 0.00 -1.51 0.00 0.00 72.50 67.50 3f1f s THR 59 CO 0.00 0.13 0.06 0.42 -2.21 0.00 0.00 174.62 173.03 3f1f s THR 60 N -0.51 2.56 0.02 5.08 -4.23 -0.87 -1.62 115.64 116.08 3f1f s THR 60 Ca 0.54 -1.88 -0.13 0.00 -1.18 0.00 0.00 61.69 59.04 3f1f s THR 60 Cb -0.40 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 70.58 3f1f s THR 60 CO 0.47 -0.14 0.27 0.72 -0.54 0.00 0.00 174.62 175.40 3f1f s PHE 61 N -2.54 -0.09 -0.04 3.99 -0.12 -1.10 -0.16 117.98 117.92 3f1f s PHE 61 Ca 0.36 0.02 0.03 0.00 -0.05 0.00 0.00 56.93 57.29 3f1f s PHE 61 Cb 0.01 0.06 0.01 0.00 -0.63 0.00 0.00 43.02 42.47 3f1f s PHE 61 CO 0.20 -0.44 -0.12 0.95 -0.05 0.00 0.00 175.22 175.77 3f1f s THR 62 N -2.04 1.03 0.09 -4.49 -4.23 -0.62 -1.56 115.64 103.82 3f1f s THR 62 Ca -0.09 -0.47 0.06 0.00 -1.18 0.00 0.00 61.69 60.01 3f1f s THR 62 Cb -0.03 -0.92 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 3f1f s THR 62 CO -0.00 0.32 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.63 3f1f s VAL 63 N 0.33 3.53 -0.04 2.29 1.01 0.05 0.70 120.40 128.28 3f1f s VAL 63 Ca -0.07 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.77 3f1f s VAL 63 Cb -0.12 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.62 3f1f s VAL 63 CO 0.02 0.14 -0.10 -0.60 0.00 0.00 0.00 175.10 174.56 3f1f s ARG 64 N -2.15 1.20 0.26 2.72 3.52 0.10 -1.20 118.95 123.40 3f1f s ARG 64 Ca 0.22 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 3f1f s ARG 64 Cb -0.11 -1.07 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 3f1f s ARG 64 CO 0.14 0.08 0.33 0.36 -0.81 0.00 0.00 175.30 175.40 3f1f n LYS 65 N 3.51 0.47 -3.42 5.12 2.85 0.07 -0.67 118.16 126.10 3f1f n LYS 65 Ca -0.20 -2.15 -0.27 0.00 -1.05 0.00 0.00 58.31 54.64 3f1f n LYS 65 Cb 0.53 2.00 -0.10 0.00 -0.65 0.00 0.00 35.03 36.81 3f1f n LYS 65 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3f1f n VAL 66 N -0.44 -0.55 -2.32 0.58 0.31 -1.26 0.59 118.33 115.25 3f1f n VAL 66 Ca 0.02 -3.83 -0.43 0.00 -0.01 0.00 0.00 64.34 60.09 3f1f n VAL 66 Cb 0.44 -1.81 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 3f1f n VAL 66 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3f1f s SER 67 N -0.54 6.61 -1.08 4.52 0.15 -0.76 -4.00 113.70 118.61 3f1f s SER 67 Ca 0.33 1.41 -0.09 0.00 0.70 0.00 0.00 55.95 58.29 3f1f s SER 67 Cb 0.06 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 3f1f s SER 67 CO -0.17 -1.10 0.89 -1.22 1.20 0.00 0.00 173.24 172.85 3f1f n TYR 68 N 7.75 -2.33 0.00 3.44 4.01 -1.26 -2.70 117.16 126.06 3f1f n TYR 68 Ca 0.16 0.78 0.00 0.00 -0.16 0.00 0.00 57.90 58.67 3f1f n TYR 68 Cb 0.46 -4.02 0.00 0.00 -0.31 0.00 0.00 39.34 35.47 3f1f n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f1f n GLY 69 N -1.33 2.02 3.79 2.72 0.00 -1.26 -4.94 105.19 106.20 3f1f n GLY 69 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3f1f n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1f s VAL 70 N -0.06 5.20 0.19 1.61 1.01 -1.10 -5.06 120.40 122.20 3f1f s VAL 70 Ca 0.00 0.68 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 3f1f s VAL 70 Cb 0.00 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 3f1f s VAL 70 CO 0.00 0.49 0.92 -0.83 0.00 0.00 0.00 175.10 175.68 3f1f s GLY 71 N -0.36 3.05 -0.01 4.51 0.00 -1.26 -1.83 107.32 111.42 3f1f s GLY 71 Ca 0.21 0.56 0.03 0.00 0.00 0.00 0.00 44.72 45.51 3f1f s GLY 71 CO 0.09 1.20 -0.09 0.14 0.00 0.00 0.00 173.10 174.44 3f1f s VAL 72 N -0.86 0.75 -0.04 1.40 1.01 0.20 -4.94 120.40 117.91 3f1f s VAL 72 Ca 0.42 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3f1f s VAL 72 Cb -0.25 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 3f1f s VAL 72 CO 0.30 0.22 -0.16 -1.61 0.00 0.00 0.00 175.10 173.86 3f1f s GLU 73 N -0.08 1.68 0.21 2.72 2.02 -1.26 -0.75 118.70 123.25 3f1f s GLU 73 Ca 0.01 -0.55 0.09 0.00 0.02 0.00 0.00 54.97 54.54 3f1f s GLU 73 Cb -0.05 -1.46 -0.05 0.00 0.10 0.00 0.00 34.13 32.67 3f1f s GLU 73 CO -0.00 0.20 -0.17 1.03 0.02 0.00 0.00 175.26 176.34 3f1f s ARG 74 N 0.13 1.40 -0.00 1.61 0.52 -0.34 -4.97 118.95 117.30 3f1f s ARG 74 Ca -0.05 -1.59 0.03 0.00 -0.52 0.00 0.00 55.73 53.61 3f1f s ARG 74 Cb -0.12 -1.34 -0.01 0.00 0.52 0.00 0.00 34.95 34.01 3f1f s ARG 74 CO 0.02 0.24 -0.11 0.42 0.02 0.00 0.00 175.30 175.89 3f1f s ILE 75 N -2.62 0.89 -0.03 1.52 1.09 -1.26 -0.77 121.20 120.02 3f1f s ILE 75 Ca 0.23 -0.52 0.02 0.00 -1.10 0.00 0.00 60.65 59.28 3f1f s ILE 75 Cb -0.03 -0.75 0.00 0.00 -1.06 0.00 0.00 42.46 40.63 3f1f s ILE 75 CO 0.09 0.22 -0.09 -0.36 -0.10 0.00 0.00 174.94 174.70 3f1f s PHE 76 N -0.31 0.94 -0.12 3.97 0.40 -0.60 -4.99 117.98 117.27 3f1f s PHE 76 Ca 0.04 -0.23 -0.29 0.00 -0.60 0.00 0.00 56.93 55.84 3f1f s PHE 76 Cb -0.05 -0.67 -0.05 0.00 0.51 0.00 0.00 43.02 42.76 3f1f s PHE 76 CO -0.00 -0.10 1.83 -2.14 0.70 0.00 0.00 175.22 175.51 3f1f s PRO 77 N 0.19 3.84 0.09 0.24 0.02 -1.26 -2.70 135.00 135.42 3f1f s PRO 77 Ca -0.03 2.10 0.04 0.00 0.02 0.00 0.00 61.00 63.13 3f1f s PRO 77 Cb -0.08 -4.12 0.24 0.00 0.02 0.00 0.00 34.50 30.55 3f1f s PRO 77 CO 0.00 -1.26 1.02 -0.11 -0.33 0.00 0.00 177.00 176.32 3f1f n LEU 78 N 8.54 0.11 -0.66 -5.54 -0.00 -0.64 0.46 117.00 119.28 3f1f n LEU 78 Ca 0.21 0.43 0.06 0.00 -0.00 0.00 0.00 56.01 56.71 3f1f n LEU 78 Cb 0.44 -0.43 0.14 0.00 -0.00 0.00 0.00 43.42 43.57 3f1f n LEU 78 CO 0.65 -0.47 0.34 1.41 -0.00 0.00 0.00 177.39 179.32 3f1f n HIS 79 N -1.57 0.00 -2.00 1.96 8.25 -1.26 -4.83 115.22 115.77 3f1f n HIS 79 Ca -0.00 -1.08 -0.42 0.00 -0.26 0.00 0.00 57.72 55.96 3f1f n HIS 79 Cb 0.16 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 3f1f n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3f1f s SER 80 N -2.74 6.66 0.00 0.41 0.15 0.17 -4.68 113.70 113.67 3f1f s SER 80 Ca 0.33 2.45 -0.01 0.00 0.70 0.00 0.00 55.95 59.41 3f1f s SER 80 Cb 0.33 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 62.01 3f1f s SER 80 CO -0.06 -0.82 1.44 -2.65 1.20 0.00 0.00 173.24 172.35 3f1f n PRO 81 N 4.95 0.71 -0.09 5.44 -0.02 -1.26 -2.56 135.00 142.17 3f1f n PRO 81 Ca 0.14 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3f1f n PRO 81 Cb 0.41 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3f1f n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3f1f n LEU 82 N 2.09 0.00 -4.19 2.45 4.77 -1.26 -4.99 117.00 115.86 3f1f n LEU 82 Ca 0.08 -0.40 -0.40 0.00 -0.03 0.00 0.00 56.01 55.25 3f1f n LEU 82 Cb 0.34 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 3f1f n LEU 82 CO 0.06 0.34 0.10 -0.63 -1.33 0.00 0.00 177.39 175.94 3f1f s ILE 83 N 0.00 4.32 0.04 -0.08 1.01 -1.06 -2.15 121.20 123.28 3f1f s ILE 83 Ca 0.00 -2.41 -0.21 0.00 0.00 0.00 0.00 60.65 58.04 3f1f s ILE 83 Cb 0.00 -3.79 -0.10 0.00 0.01 0.00 0.00 42.46 38.58 3f1f s ILE 83 CO 0.00 -0.87 1.32 -0.61 0.00 0.00 0.00 174.94 174.77 3f1f h GLN 84 N 7.74 -0.62 -5.08 2.79 4.15 -1.74 -3.46 115.11 118.89 3f1f h GLN 84 Ca -0.06 0.04 -0.58 0.00 0.77 0.00 0.00 58.65 58.82 3f1f h GLN 84 Cb 1.02 0.14 -0.13 0.00 0.21 0.00 0.00 27.48 28.72 3f1f h GLN 84 CO 0.77 -0.41 -0.52 0.15 -1.93 0.00 0.00 178.83 176.90 3f1f s LYS 85 N -4.63 1.98 -0.32 1.69 1.02 -1.26 -5.03 119.74 113.20 3f1f s LYS 85 Ca -0.10 -2.22 0.06 0.00 0.02 0.00 0.00 55.97 53.73 3f1f s LYS 85 Cb 0.02 -0.80 0.19 0.00 -0.52 0.00 0.00 37.83 36.72 3f1f s LYS 85 CO 0.34 -0.45 0.60 -1.50 -0.92 0.00 0.00 175.35 173.42 3f1f s ILE 86 N -3.14 -0.99 -0.15 2.17 2.07 -1.26 -2.60 121.20 117.30 3f1f s ILE 86 Ca 0.20 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.30 3f1f s ILE 86 Cb 0.02 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.83 3f1f s ILE 86 CO 0.12 0.00 0.30 -1.81 -1.91 0.00 0.00 174.94 171.65 3f1f s ASP 87 N 2.58 6.46 0.31 4.50 1.11 -0.84 -4.59 116.67 126.20 3f1f s ASP 87 Ca 0.12 0.54 -0.28 0.00 0.18 0.00 0.00 52.55 53.11 3f1f s ASP 87 Cb -0.08 -2.19 -0.09 0.00 1.07 0.00 0.00 42.92 41.62 3f1f s ASP 87 CO -0.21 0.11 1.04 0.27 1.18 0.00 0.00 175.17 177.55 3f1f s ILE 88 N 0.39 3.75 0.00 0.77 -5.25 -1.26 -1.50 121.20 118.10 3f1f s ILE 88 Ca 0.17 1.60 0.00 0.00 -0.99 0.00 0.00 60.65 61.43 3f1f s ILE 88 Cb -0.13 -3.95 0.00 0.00 2.95 0.00 0.00 42.46 41.32 3f1f s ILE 88 CO 0.05 0.26 0.37 1.33 -1.79 0.00 0.00 174.94 175.16 3f1f n VAL 89 N 0.81 0.00 0.00 8.37 0.24 -1.11 -4.92 118.33 121.73 3f1f n VAL 89 Ca 0.01 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 3f1f n VAL 89 Cb 0.47 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 34.09 3f1f n VAL 89 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3f1f n GLN 90 N -0.00 0.00 -4.34 7.34 -0.06 -1.19 -4.95 117.38 114.18 3f1f n GLN 90 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.81 3f1f n GLN 90 Cb 0.07 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.11 3f1f n GLN 90 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3f1f s ARG 91 N -2.00 0.79 0.05 3.69 0.52 -1.26 -2.86 118.95 117.88 3f1f s ARG 91 Ca 0.00 -0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 54.66 3f1f s ARG 91 Cb 0.00 -0.76 -0.03 0.00 0.52 0.00 0.00 34.95 34.68 3f1f s ARG 91 CO 0.00 0.20 0.01 0.20 0.02 0.00 0.00 175.30 175.73 3f1f s GLY 92 N -0.69 0.36 -0.14 -3.53 0.00 -0.91 -1.17 107.32 101.23 3f1f s GLY 92 Ca 0.01 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 43.47 3f1f s GLY 92 CO 0.00 -1.09 1.72 -1.60 0.00 0.00 0.00 173.10 172.13 3f1f s ARG 93 N -3.45 3.88 -0.09 2.90 6.06 -1.26 -4.57 118.95 122.42 3f1f s ARG 93 Ca 0.02 1.95 -0.01 0.00 -2.50 0.00 0.00 55.73 55.19 3f1f s ARG 93 Cb 0.04 -4.06 -0.00 0.00 0.06 0.00 0.00 34.95 30.99 3f1f s ARG 93 CO -0.08 -1.20 -0.02 0.00 -2.50 0.00 0.00 175.30 171.49 3f1f h ALA 94 N 10.76 0.00 0.00 6.12 0.00 -1.82 -3.41 119.26 130.90 3f1f h ALA 94 Ca -0.38 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3f1f h ALA 94 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3f1f h ALA 94 CO 0.98 0.06 0.00 -2.13 0.00 0.00 0.00 179.25 178.16 3f1f n ARG 95 N -4.32 0.00 -3.74 0.00 3.00 -1.26 -4.88 116.66 105.46 3f1f n ARG 95 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.75 3f1f n ARG 95 Cb 0.03 -3.49 -0.03 0.00 0.00 0.00 0.00 32.46 28.97 3f1f n ARG 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3f1f s ARG 96 N -0.47 1.55 0.00 -0.14 3.52 -1.26 -5.14 118.95 117.02 3f1f s ARG 96 Ca 0.00 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.75 3f1f s ARG 96 Cb 0.00 0.57 0.00 0.00 -1.56 0.00 0.00 34.95 33.96 3f1f s ARG 96 CO 0.00 -0.69 0.00 0.00 -0.81 0.00 0.00 175.30 173.80 3f1f n ALA 97 N -0.41 0.00 -2.39 6.12 0.00 -1.26 -4.88 120.51 117.69 3f1f n ALA 97 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 3f1f n ALA 97 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 3f1f n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3f1f s LYS 98 N 0.00 4.33 -0.47 0.00 3.01 -1.26 -4.75 119.74 120.59 3f1f s LYS 98 Ca 0.00 1.75 0.08 0.00 -1.01 0.00 0.00 55.97 56.80 3f1f s LYS 98 Cb 0.00 -3.57 0.36 0.00 -1.01 0.00 0.00 37.83 33.62 3f1f s LYS 98 CO 0.00 -0.49 0.90 1.47 0.51 0.00 0.00 175.35 177.74 3f1f n LEU 99 N 5.30 3.09 0.02 3.17 -0.00 -0.82 -4.83 117.00 122.92 3f1f n LEU 99 Ca 0.12 -5.23 0.06 0.00 -0.00 0.00 0.00 56.01 50.95 3f1f n LEU 99 Cb 0.45 -0.05 0.26 0.00 -0.00 0.00 0.00 43.42 44.08 3f1f n LEU 99 CO 0.56 2.25 0.68 -1.22 -0.00 0.00 0.00 177.39 179.66 3f1f n TYR 100 N -0.10 0.13 0.29 1.47 4.02 -1.26 -2.92 117.16 118.79 3f1f n TYR 100 Ca 0.28 0.06 0.16 0.00 -0.01 0.00 0.00 57.90 58.38 3f1f n TYR 100 Cb 0.55 -0.59 0.88 0.00 -0.02 0.00 0.00 39.34 40.16 3f1f n TYR 100 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3f1f h PHE 101 N 0.00 0.00 0.00 -0.72 -0.00 -1.95 -1.64 116.94 112.63 3f1f h PHE 101 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 3f1f h PHE 101 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.13 3f1f h PHE 101 CO 0.00 0.05 -0.07 -0.84 -0.00 0.00 0.00 178.31 177.45 3f1f h ILE 102 N 0.00 0.49 0.09 0.88 -0.00 -1.88 -2.94 117.51 114.15 3f1f h ILE 102 Ca -0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 64.86 64.53 3f1f h ILE 102 Cb 0.18 1.22 -0.01 0.00 -0.00 0.00 0.00 36.82 38.21 3f1f h ILE 102 CO 0.01 0.07 -0.17 0.03 -0.00 0.00 0.00 178.15 178.09 3f1f h ARG 103 N 0.00 -0.27 -0.10 0.16 3.08 -1.56 -3.11 114.38 112.59 3f1f h ARG 103 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3f1f h ARG 103 Cb 0.22 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3f1f h ARG 103 CO 0.01 -0.18 0.00 0.09 -1.07 0.00 0.00 179.97 178.82 3f1f n ASN 104 N -3.38 0.10 -2.70 7.04 3.02 -1.11 -3.40 115.26 114.83 3f1f n ASN 104 Ca -0.03 -1.13 -0.04 0.00 -0.03 0.00 0.00 54.58 53.35 3f1f n ASN 104 Cb 0.14 -0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.29 3f1f n ASN 104 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3f1f n LEU 105 N -0.37 -2.16 -4.67 3.41 0.00 -1.19 -5.15 117.00 106.87 3f1f n LEU 105 Ca 0.00 -1.71 -0.35 0.00 0.00 0.00 0.00 56.01 53.96 3f1f n LEU 105 Cb 0.03 0.63 -0.09 0.00 0.00 0.00 0.00 43.42 43.98 3f1f n LEU 105 CO 0.00 1.47 -0.24 -0.94 0.00 0.00 0.00 177.39 177.68 3f1f s SER 106 N 0.82 5.74 0.00 1.96 1.04 -1.18 -3.98 113.70 118.09 3f1f s SER 106 Ca 0.26 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.82 3f1f s SER 106 Cb 0.09 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.25 3f1f s SER 106 CO -0.09 0.21 0.00 -0.90 0.98 0.00 0.00 173.24 173.44 3f1f n ASP 107 N 3.32 0.00 0.06 7.02 5.75 -1.26 -4.84 116.55 126.60 3f1f n ASP 107 Ca -0.17 0.00 0.21 0.00 -0.01 0.00 0.00 54.79 54.82 3f1f n ASP 107 Cb 0.52 0.00 0.66 0.00 -1.03 0.00 0.00 41.12 41.27 3f1f n ASP 107 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3f1f h ARG 108 N 0.00 0.00 -0.03 0.11 2.43 -2.01 0.26 114.38 115.14 3f1f h ARG 108 Ca 0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 3f1f h ARG 108 Cb 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3f1f h ARG 108 CO 0.00 0.00 -0.98 0.93 -1.51 0.00 0.00 179.97 178.41 3f1f h GLU 109 N 0.00 0.67 0.00 0.20 4.39 -1.90 -3.08 114.58 114.86 3f1f h GLU 109 Ca 0.24 -0.69 -0.02 0.00 0.34 0.00 0.00 59.36 59.23 3f1f h GLU 109 Cb 1.51 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 30.34 3f1f h GLU 109 CO -0.00 1.28 -0.11 0.97 -1.16 0.00 0.00 179.01 179.99 3f1f h ILE 110 N 0.39 0.68 0.00 3.13 6.09 -0.61 -3.18 117.51 124.02 3f1f h ILE 110 Ca -0.11 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 3f1f h ILE 110 Cb 1.63 1.27 0.00 0.00 0.47 0.00 0.00 36.82 40.19 3f1f h ILE 110 CO 0.19 0.11 0.00 0.54 -3.07 0.00 0.00 178.15 175.92 3f1f n ARG 111 N -3.84 0.00 -0.59 2.19 5.12 -1.10 -3.55 116.66 114.89 3f1f n ARG 111 Ca -0.02 0.38 -0.20 0.00 -1.93 0.00 0.00 57.85 56.07 3f1f n ARG 111 Cb 0.21 -1.12 -0.02 0.00 -1.16 0.00 0.00 32.46 30.36 3f1f n ARG 111 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3f1f n ARG 112 N -1.64 1.39 0.00 5.56 -4.01 -1.17 -0.46 116.66 116.33 3f1f n ARG 112 Ca 0.00 -1.25 0.00 0.00 -1.04 0.00 0.00 57.85 55.56 3f1f n ARG 112 Cb 0.00 -2.40 0.00 0.00 -3.04 0.00 0.00 32.46 27.02 3f1f n ARG 112 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3f1f n LYS 113 N 4.95 0.00 -3.18 2.89 3.00 -1.23 -4.92 118.16 119.67 3f1f n LYS 113 Ca 0.34 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.43 3f1f n LYS 113 Cb 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.11 3f1f n LYS 113 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3f1f n LEU 114 N 0.00 -0.53 0.00 3.14 4.77 0.39 -4.91 117.00 119.86 3f1f n LEU 114 Ca 0.00 -4.36 0.00 0.00 -0.03 0.00 0.00 56.01 51.62 3f1f n LEU 114 Cb 0.00 0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3f1f n LEU 114 CO 0.00 1.99 0.17 -2.11 -1.33 0.00 0.00 177.39 176.11 3f1f n ARG 115 N 1.94 0.00 -3.49 3.23 0.00 -1.24 -4.58 116.66 112.52 3f1f n ARG 115 Ca 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.09 3f1f n ARG 115 Cb 0.53 -0.83 -0.05 0.00 -0.00 0.00 0.00 32.46 32.11 3f1f n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3f1f s ALA 116 N -2.05 -2.73 -1.22 2.89 0.00 -1.26 -4.76 121.76 112.64 3f1f s ALA 116 Ca 0.00 2.00 -0.09 0.00 0.00 0.00 0.00 51.96 53.87 3f1f s ALA 116 Cb 0.00 -2.01 -0.13 0.00 0.00 0.00 0.00 23.12 20.98 3f1f s ALA 116 CO 0.00 -0.59 3.13 -3.47 0.00 0.00 0.00 175.76 174.83 3f1f n ASP 117 N 3.92 7.89 0.30 0.00 4.64 -0.32 -4.52 116.55 128.46 3f1f n ASP 117 Ca -0.14 -2.55 0.07 0.00 -1.38 0.00 0.00 54.79 50.79 3f1f n ASP 117 Cb 0.56 -1.52 0.39 0.00 -1.04 0.00 0.00 41.12 39.50 3f1f n ASP 117 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 3f1f h ARG 118 N 4.49 0.00 0.02 -0.67 3.08 -1.97 0.66 114.38 119.99 3f1f h ARG 118 Ca 0.71 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.75 3f1f h ARG 118 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3f1f h ARG 118 CO 1.40 0.00 -0.01 -0.22 -1.07 0.00 0.00 179.97 180.07 3f1f h LYS 119 N 0.00 -0.02 -0.90 0.04 3.64 -1.99 -2.59 116.57 114.75 3f1f h LYS 119 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3f1f h LYS 119 Cb 1.23 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 3f1f h LYS 119 CO 0.00 -0.01 0.58 0.00 -2.27 0.00 0.00 179.45 177.75 3f1f h ARG 120 N -0.03 1.09 -0.81 1.90 3.08 -0.55 -1.89 114.38 117.16 3f1f h ARG 120 Ca -0.00 -0.07 0.16 0.00 0.07 0.00 0.00 59.98 60.14 3f1f h ARG 120 Cb 0.02 -0.24 -0.10 0.00 0.08 0.00 0.00 29.97 29.72 3f1f h ARG 120 CO 0.00 0.72 0.35 0.82 -1.07 0.00 0.00 179.97 180.79 3f1f h ILE 121 N 1.12 0.62 -0.07 2.04 2.04 -0.06 0.38 117.51 123.59 3f1f h ILE 121 Ca 0.36 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.95 3f1f h ILE 121 Cb 0.02 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 3f1f h ILE 121 CO -0.12 0.09 -0.45 0.44 0.00 0.00 0.00 178.15 178.10 3f1f h ASP 122 N 0.47 0.16 -0.25 1.72 3.32 -0.93 -0.60 116.42 120.31 3f1f h ASP 122 Ca 0.46 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.35 3f1f h ASP 122 Cb 0.74 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 3f1f h ASP 122 CO -0.43 0.59 -0.13 0.11 -1.72 0.00 0.00 179.24 177.66 3f1f h LYS 123 N 0.13 0.67 0.00 3.56 1.57 -0.63 -1.72 116.57 120.14 3f1f h LYS 123 Ca 0.01 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3f1f h LYS 123 Cb 0.85 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3f1f h LYS 123 CO 0.07 0.78 0.00 -0.25 -0.57 0.00 0.00 179.45 179.47 3f1f n ASP 124 N -4.17 0.00 -0.15 0.86 9.92 0.11 -1.97 116.55 121.16 3f1f n ASP 124 Ca 0.01 0.44 -0.03 0.00 -0.53 0.00 0.00 54.79 54.67 3f1f n ASP 124 Cb 0.36 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.87 3f1f n ASP 124 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3f1f h ARG 125 N 0.00 -0.01 0.00 -1.24 2.47 -1.39 0.24 114.38 114.45 3f1f h ARG 125 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3f1f h ARG 125 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3f1f h ARG 125 CO 0.00 -0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.53 3f1f n ALA 126 N -2.83 -0.15 0.05 0.04 0.00 -0.65 -1.40 120.51 115.57 3f1f n ALA 126 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.49 3f1f n ALA 126 Cb 0.26 0.07 0.03 0.00 0.00 0.00 0.00 19.45 19.81 3f1f n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1f n ALA 127 N -1.23 1.12 0.00 0.00 0.00 -0.83 -0.25 120.51 119.33 3f1f n ALA 127 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 3f1f n ALA 127 Cb 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 3f1f n ALA 127 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3f1f h GLU 128 N 0.00 -0.01 0.00 0.00 4.81 -0.13 -2.94 114.58 116.31 3f1f h GLU 128 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3f1f h GLU 128 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3f1f h GLU 128 CO 0.00 -0.00 -0.35 0.00 -0.73 0.00 0.00 179.01 177.93 3f1f h ARG 129 N -0.02 0.00 0.82 1.92 3.08 -0.79 -2.54 114.38 116.86 3f1f h ARG 129 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3f1f h ARG 129 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3f1f h ARG 129 CO 0.00 0.35 -0.39 0.00 -1.07 0.00 0.00 179.97 178.86 3f1f h ALA 130 N 1.65 -1.10 0.00 0.04 0.00 -0.77 0.29 119.26 119.36 3f1f h ALA 130 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3f1f h ALA 130 Cb 0.76 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3f1f h ALA 130 CO 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 179.25 178.20 3f1f h ALA 131 N -0.98 1.00 -0.01 0.00 0.00 -1.45 0.53 119.26 118.35 3f1f h ALA 131 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 3f1f h ALA 131 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3f1f h ALA 131 CO 0.18 0.00 -0.94 0.87 0.00 0.00 0.00 179.25 179.36 3f1f h LYS 132 N 0.00 0.44 -0.91 0.00 1.57 -0.94 -3.09 116.57 113.64 3f1f h LYS 132 Ca 0.00 -0.47 0.11 0.00 -1.87 0.00 0.00 60.65 58.42 3f1f h LYS 132 Cb 0.09 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 3f1f h LYS 132 CO 0.00 1.12 0.59 0.93 -0.57 0.00 0.00 179.45 181.52 3f1f h GLU 133 N 0.25 0.83 -0.26 3.15 4.39 0.12 0.35 114.58 123.41 3f1f h GLU 133 Ca -0.08 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3f1f h GLU 133 Cb 1.58 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 3f1f h GLU 133 CO 0.17 0.55 0.00 0.39 -1.16 0.00 0.00 179.01 178.95 3f1f n GLU 134 N -4.56 1.51 0.00 2.33 -0.58 -1.13 -0.49 120.64 117.72 3f1f n GLU 134 Ca 0.17 -0.72 0.00 0.00 -0.42 0.00 0.00 57.16 56.19 3f1f n GLU 134 Cb 0.36 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 3f1f n GLU 134 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3f1f n VAL 135 N 0.08 0.00 0.04 2.62 0.31 -0.82 -4.71 118.33 115.86 3f1f n VAL 135 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.28 3f1f n VAL 135 Cb 0.20 0.09 -0.08 0.00 -0.91 0.00 0.00 33.84 33.14 3f1f n VAL 135 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3f1f h GLN 136 N 0.00 -0.18 -0.01 5.55 4.20 -0.33 -3.51 115.11 120.83 3f1f h GLN 136 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3f1f h GLN 136 Cb 0.02 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3f1f h GLN 136 CO 0.00 0.28 0.00 1.63 -0.67 0.00 0.00 178.83 180.07