#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1a s GLN 2 N 0.00 0.91 0.08 5.55 -0.21 -1.26 -1.89 119.66 122.85 1f1a s GLN 2 Ca 0.00 -0.83 -0.08 0.00 0.02 0.00 0.00 55.36 54.47 1f1a s GLN 2 Cb 0.00 -0.93 -0.00 0.00 1.00 0.00 0.00 33.01 33.08 1f1a s GLN 2 CO 0.00 0.22 0.18 0.00 -2.12 0.00 0.00 175.29 173.57 1f1a s ALA 3 N -0.98 -0.21 -0.04 6.09 0.00 -0.58 -1.60 121.76 124.44 1f1a s ALA 3 Ca 0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 1f1a s ALA 3 Cb -0.09 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1f1a s ALA 3 CO 0.02 -0.49 0.27 0.54 0.00 0.00 0.00 175.76 176.10 1f1a s VAL 4 N -3.73 0.04 -0.06 0.00 0.11 0.08 -0.66 120.40 116.19 1f1a s VAL 4 Ca 0.04 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 1f1a s VAL 4 Cb 0.04 -0.51 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1f1a s VAL 4 CO -0.10 -0.20 -0.08 0.00 -3.33 0.00 0.00 175.10 171.39 1f1a s ALA 5 N -0.86 0.98 -0.39 1.54 0.00 -0.16 -0.53 121.76 122.34 1f1a s ALA 5 Ca -0.09 -0.25 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 1f1a s ALA 5 Cb -0.05 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1f1a s ALA 5 CO 0.02 0.02 0.25 0.08 0.00 0.00 0.00 175.76 176.14 1f1a s VAL 6 N 0.85 4.95 -0.18 0.00 1.01 -1.26 -1.19 120.40 124.58 1f1a s VAL 6 Ca -0.12 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1f1a s VAL 6 Cb -0.15 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1f1a s VAL 6 CO 0.01 -0.25 1.18 -0.76 0.00 0.00 0.00 175.10 175.29 1f1a s LEU 7 N 1.63 4.16 0.09 3.92 1.43 -0.44 -3.98 118.68 125.48 1f1a s LEU 7 Ca 0.04 1.59 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 1f1a s LEU 7 Cb -0.19 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 1f1a s LEU 7 CO 0.08 -0.72 -0.07 -0.54 0.23 0.00 0.00 176.35 175.34 1f1a s LYS 8 N 3.31 0.77 0.03 1.70 1.02 -0.45 -2.24 119.74 123.87 1f1a s LYS 8 Ca 0.51 -1.21 -0.13 0.00 0.02 0.00 0.00 55.97 55.16 1f1a s LYS 8 Cb -0.19 -0.22 0.04 0.00 -0.52 0.00 0.00 37.83 36.94 1f1a s LYS 8 CO 0.12 -0.00 0.60 0.41 -0.92 0.00 0.00 175.35 175.56 1f1a n GLY 9 N 0.28 0.61 1.08 -3.33 0.00 -1.25 -1.87 105.19 100.70 1f1a n GLY 9 Ca -0.14 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 44.98 1f1a n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f1a n ASP 10 N -0.73 3.94 -0.82 1.61 8.00 -1.26 -4.55 116.55 122.75 1f1a n ASP 10 Ca 0.01 -2.50 0.08 0.00 0.71 0.00 0.00 54.79 53.09 1f1a n ASP 10 Cb 0.29 -0.46 0.23 0.00 -0.02 0.00 0.00 41.12 41.16 1f1a n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f1a n ALA 11 N 0.41 2.76 -0.18 2.24 0.00 -1.26 -4.96 120.51 119.52 1f1a n ALA 11 Ca 0.20 -1.97 0.00 0.00 0.00 0.00 0.00 53.44 51.67 1f1a n ALA 11 Cb 0.75 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1f1a n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1a n GLY 12 N -0.22 2.08 3.81 0.00 0.00 -1.26 -5.01 105.19 104.58 1f1a n GLY 12 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1f1a n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1a s VAL 13 N -2.98 5.21 0.24 1.61 1.01 -1.26 -4.26 120.40 119.96 1f1a s VAL 13 Ca 0.00 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 62.45 1f1a s VAL 13 Cb 0.00 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1f1a s VAL 13 CO 0.00 0.52 0.60 -0.94 0.00 0.00 0.00 175.10 175.27 1f1a s SER 14 N -0.51 -0.24 0.00 3.32 1.04 -0.86 -3.95 113.70 112.51 1f1a s SER 14 Ca 0.20 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1f1a s SER 14 Cb -0.15 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1f1a s SER 14 CO 0.09 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.72 1f1a n GLY 15 N -0.40 -1.37 2.84 7.32 0.00 -0.95 -0.50 105.19 112.12 1f1a n GLY 15 Ca -0.06 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 1f1a n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1a s VAL 16 N -2.92 -0.02 -0.12 1.61 1.01 0.02 -1.33 120.40 118.66 1f1a s VAL 16 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1f1a s VAL 16 Cb 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 36.38 36.36 1f1a s VAL 16 CO 0.00 0.03 -0.14 -0.69 0.00 0.00 0.00 175.10 174.30 1f1a s VAL 17 N 0.34 1.46 -0.07 2.92 1.01 -0.33 -1.76 120.40 123.97 1f1a s VAL 17 Ca -0.03 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1f1a s VAL 17 Cb -0.04 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1f1a s VAL 17 CO -0.01 0.44 -0.06 -0.54 0.00 0.00 0.00 175.10 174.92 1f1a s LYS 18 N 1.21 2.76 0.06 2.72 -0.14 0.58 -0.99 119.74 125.94 1f1a s LYS 18 Ca -0.02 -0.54 0.08 0.00 -1.36 0.00 0.00 55.97 54.13 1f1a s LYS 18 Cb -0.14 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 1f1a s LYS 18 CO -0.05 0.67 -0.21 -0.06 -0.76 0.00 0.00 175.35 174.94 1f1a s PHE 19 N -0.82 1.84 -0.15 3.18 0.40 0.17 -0.85 117.98 121.75 1f1a s PHE 19 Ca 0.12 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 1f1a s PHE 19 Cb -0.11 -1.07 0.06 0.00 0.51 0.00 0.00 43.02 42.41 1f1a s PHE 19 CO 0.01 0.13 0.35 -2.00 0.70 0.00 0.00 175.22 174.41 1f1a s GLU 20 N -1.37 0.31 -0.12 0.44 2.12 -0.80 -1.52 118.70 117.76 1f1a s GLU 20 Ca 0.08 0.73 -0.04 0.00 0.36 0.00 0.00 54.97 56.10 1f1a s GLU 20 Cb -0.09 -0.02 0.06 0.00 0.26 0.00 0.00 34.13 34.34 1f1a s GLU 20 CO 0.02 -0.18 0.24 -1.14 -0.54 0.00 0.00 175.26 173.66 1f1a s GLN 21 N 1.57 0.12 0.01 4.30 0.74 -0.79 -0.32 119.66 125.28 1f1a s GLN 21 Ca -0.08 0.70 -0.23 0.00 0.05 0.00 0.00 55.36 55.79 1f1a s GLN 21 Cb -0.10 -0.10 -0.18 0.00 1.10 0.00 0.00 33.01 33.74 1f1a s GLN 21 CO -0.11 -0.29 1.29 0.00 -0.55 0.00 0.00 175.29 175.64 1f1a h ALA 22 N 8.27 0.10 -2.51 1.58 0.00 -1.83 0.24 119.26 125.11 1f1a h ALA 22 Ca -0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1f1a h ALA 22 Cb 1.12 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 1f1a h ALA 22 CO 0.14 -0.08 -0.39 -1.54 0.00 0.00 0.00 179.25 177.38 1f1a s SER 23 N -5.91 0.12 0.28 0.00 1.04 -1.26 -4.39 113.70 103.58 1f1a s SER 23 Ca -0.15 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.69 1f1a s SER 23 Cb 0.03 0.32 0.69 0.00 0.10 0.00 0.00 66.02 67.16 1f1a s SER 23 CO 0.71 -0.69 1.67 -0.08 0.98 0.00 0.00 173.24 175.83 1f1a h GLU 24 N 2.92 0.27 0.00 4.02 4.81 -1.90 -0.59 114.58 124.10 1f1a h GLU 24 Ca -0.34 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 1f1a h GLU 24 Cb 1.20 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1f1a h GLU 24 CO 0.55 0.18 -0.25 0.66 -0.73 0.00 0.00 179.01 179.42 1f1a h SER 25 N 0.27 0.00 -4.18 1.04 4.64 -1.97 -3.45 113.55 109.90 1f1a h SER 25 Ca 0.54 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.37 1f1a h SER 25 Cb 1.05 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.20 1f1a h SER 25 CO -0.60 0.25 0.38 -1.61 -0.87 0.00 0.00 176.83 174.38 1f1a s GLU 26 N -3.81 3.43 0.66 4.77 0.41 -0.23 -5.04 118.70 118.89 1f1a s GLU 26 Ca -0.01 1.21 -0.13 0.00 -0.41 0.00 0.00 54.97 55.64 1f1a s GLU 26 Cb 0.11 -2.05 -0.00 0.00 -1.78 0.00 0.00 34.13 30.41 1f1a s GLU 26 CO 0.64 -0.72 1.06 -2.14 -0.49 0.00 0.00 175.26 173.61 1f1a s PRO 27 N -3.96 3.01 -0.15 0.39 0.02 -1.26 -4.84 135.00 128.21 1f1a s PRO 27 Ca 0.64 1.09 -0.08 0.00 0.02 0.00 0.00 61.00 62.68 1f1a s PRO 27 Cb -0.16 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 1f1a s PRO 27 CO 0.34 -1.05 0.12 0.99 -0.33 0.00 0.00 177.00 177.07 1f1a s THR 28 N -2.77 5.31 -0.27 0.99 2.01 -0.34 -4.68 115.64 115.89 1f1a s THR 28 Ca 0.61 0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.58 1f1a s THR 28 Cb -0.15 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1f1a s THR 28 CO 0.47 0.55 0.46 -0.89 -0.69 0.00 0.00 174.62 174.52 1f1a s THR 29 N -0.44 5.10 -0.24 -0.82 2.01 0.56 -1.24 115.64 120.57 1f1a s THR 29 Ca 0.11 0.73 -0.07 0.00 0.31 0.00 0.00 61.69 62.77 1f1a s THR 29 Cb -0.12 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1f1a s THR 29 CO 0.02 0.09 0.07 -0.69 -0.69 0.00 0.00 174.62 173.42 1f1a s VAL 30 N 2.23 4.41 -0.01 3.82 1.01 0.13 -1.90 120.40 130.08 1f1a s VAL 30 Ca 0.19 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.09 1f1a s VAL 30 Cb -0.16 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1f1a s VAL 30 CO 0.10 0.35 -0.20 -0.44 0.00 0.00 0.00 175.10 174.91 1f1a s SER 31 N 1.47 3.60 0.03 3.32 0.01 -0.03 -0.91 113.70 121.19 1f1a s SER 31 Ca 0.06 -0.36 -0.09 0.00 1.31 0.00 0.00 55.95 56.87 1f1a s SER 31 Cb -0.15 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1f1a s SER 31 CO 0.04 0.31 0.18 -0.72 0.41 0.00 0.00 173.24 173.46 1f1a s TYR 32 N -0.74 0.06 -0.19 2.43 -0.85 0.41 -0.31 117.35 118.16 1f1a s TYR 32 Ca 0.12 -0.25 -0.04 0.00 -0.52 0.00 0.00 57.07 56.38 1f1a s TYR 32 Cb -0.10 -0.04 0.09 0.00 0.38 0.00 0.00 41.96 42.29 1f1a s TYR 32 CO 0.01 -0.39 0.26 -2.00 -1.52 0.00 0.00 175.55 171.91 1f1a s GLU 33 N -2.28 0.21 -0.06 -3.49 2.12 -0.72 -1.69 118.70 112.79 1f1a s GLU 33 Ca -0.07 0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.70 1f1a s GLU 33 Cb -0.03 -0.70 0.02 0.00 0.26 0.00 0.00 34.13 33.69 1f1a s GLU 33 CO -0.02 -0.53 -0.05 0.42 -0.54 0.00 0.00 175.26 174.53 1f1a s ILE 34 N 2.40 0.62 0.35 -3.70 1.01 0.72 -0.80 121.20 121.81 1f1a s ILE 34 Ca 0.06 -0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.65 1f1a s ILE 34 Cb -0.14 -0.65 -0.06 0.00 0.01 0.00 0.00 42.46 41.62 1f1a s ILE 34 CO -0.12 0.26 0.02 0.00 0.00 0.00 0.00 174.94 175.10 1f1a s ALA 35 N 1.08 3.21 0.00 9.38 0.00 0.34 -0.29 121.76 135.49 1f1a s ALA 35 Ca -0.08 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.87 1f1a s ALA 35 Cb -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1f1a s ALA 35 CO -0.01 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1f1a n GLY 36 N -0.96 0.75 3.94 0.00 0.00 -1.17 -2.02 105.19 105.72 1f1a n GLY 36 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1f1a n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1a s ASN 37 N -2.17 4.59 0.41 1.61 0.01 -0.81 -4.41 114.94 114.16 1f1a s ASN 37 Ca 0.00 0.30 -0.26 0.00 -0.71 0.00 0.00 52.86 52.19 1f1a s ASN 37 Cb 0.00 -0.86 -0.09 0.00 0.41 0.00 0.00 41.25 40.71 1f1a s ASN 37 CO 0.00 -1.73 1.36 -0.44 -1.51 0.00 0.00 177.10 174.78 1f1a s SER 38 N -4.58 6.23 0.45 -1.22 0.01 -1.26 -4.30 113.70 109.03 1f1a s SER 38 Ca 0.62 2.78 -0.21 0.00 1.31 0.00 0.00 55.95 60.46 1f1a s SER 38 Cb -0.09 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.40 1f1a s SER 38 CO 0.45 -0.92 1.01 -2.16 0.41 0.00 0.00 173.24 172.03 1f1a s PRO 39 N -2.24 3.99 -1.25 12.44 0.04 -1.26 -4.13 135.00 142.59 1f1a s PRO 39 Ca 0.57 1.30 -0.14 0.00 0.04 0.00 0.00 61.00 62.77 1f1a s PRO 39 Cb -0.41 -2.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.95 1f1a s PRO 39 CO 0.53 -0.26 0.64 0.09 0.04 0.00 0.00 177.00 178.05 1f1a n ASN 40 N -0.73 -3.22 -4.14 6.66 3.02 -0.05 -4.93 115.26 111.88 1f1a n ASN 40 Ca 0.08 -1.03 -0.10 0.00 -0.03 0.00 0.00 54.58 53.50 1f1a n ASN 40 Cb 0.53 -3.15 -0.10 0.00 -0.61 0.00 0.00 39.78 36.45 1f1a n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f1a s ALA 41 N -3.66 0.82 -0.10 5.41 0.00 -1.20 -4.93 121.76 118.10 1f1a s ALA 41 Ca 0.29 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 1f1a s ALA 41 Cb -0.11 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 1f1a s ALA 41 CO 0.88 -0.53 -0.06 -1.21 0.00 0.00 0.00 175.76 174.83 1f1a s GLU 42 N -4.06 3.06 -0.04 0.00 2.02 -1.26 -0.33 118.70 118.08 1f1a s GLU 42 Ca 0.27 -0.54 0.02 0.00 0.02 0.00 0.00 54.97 54.74 1f1a s GLU 42 Cb 0.07 -2.69 0.01 0.00 0.10 0.00 0.00 34.13 31.62 1f1a s GLU 42 CO 0.04 0.52 -0.10 1.03 0.02 0.00 0.00 175.26 176.77 1f1a s ARG 43 N -0.42 1.21 0.19 1.61 1.81 -0.42 -3.67 118.95 119.26 1f1a s ARG 43 Ca 0.06 -0.31 -0.33 0.00 -1.72 0.00 0.00 55.73 53.43 1f1a s ARG 43 Cb -0.12 -1.08 -0.14 0.00 -0.45 0.00 0.00 34.95 33.15 1f1a s ARG 43 CO 0.02 0.05 1.45 0.41 -0.68 0.00 0.00 175.30 176.55 1f1a n GLY 44 N 3.60 0.83 2.83 -3.53 0.00 -0.15 -1.63 105.19 107.14 1f1a n GLY 44 Ca -0.21 0.57 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 1f1a n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1f1a s PHE 45 N 0.34 1.88 0.10 1.61 5.36 0.39 0.11 117.98 127.77 1f1a s PHE 45 Ca 0.74 -1.55 0.01 0.00 -0.96 0.00 0.00 56.93 55.16 1f1a s PHE 45 Cb -0.70 -1.53 -0.04 0.00 -0.34 0.00 0.00 43.02 40.41 1f1a s PHE 45 CO 0.45 -0.76 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.40 1f1a s HIS 46 N 1.57 0.85 -0.20 10.12 3.76 -0.61 -2.60 115.29 128.18 1f1a s HIS 46 Ca 0.01 -1.00 -0.06 0.00 -0.15 0.00 0.00 55.06 53.85 1f1a s HIS 46 Cb -0.18 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 1f1a s HIS 46 CO -0.12 -0.25 0.04 0.42 -0.85 0.00 0.00 174.74 173.98 1f1a s ILE 47 N -3.75 4.41 0.48 0.60 1.01 -0.23 -0.40 121.20 123.32 1f1a s ILE 47 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 1f1a s ILE 47 Cb 0.06 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 1f1a s ILE 47 CO -0.04 0.43 0.73 -1.10 0.00 0.00 0.00 174.94 174.96 1f1a s GLN 48 N 0.78 3.09 0.17 2.79 -1.52 0.59 -1.33 119.66 124.23 1f1a s GLN 48 Ca 0.02 -0.30 -0.10 0.00 -1.95 0.00 0.00 55.36 53.03 1f1a s GLN 48 Cb -0.14 -2.48 0.03 0.00 -0.22 0.00 0.00 33.01 30.21 1f1a s GLN 48 CO 0.02 -0.35 1.59 1.49 -0.25 0.00 0.00 175.29 177.80 1f1a h GLU 49 N 0.26 1.02 -6.23 2.91 4.81 -0.14 -3.30 114.58 113.92 1f1a h GLU 49 Ca -0.46 -0.37 -0.56 0.00 -0.13 0.00 0.00 59.36 57.84 1f1a h GLU 49 Cb 1.25 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.47 1f1a h GLU 49 CO 0.59 1.06 -0.63 -0.06 -0.73 0.00 0.00 179.01 179.23 1f1a s PHE 50 N -4.87 2.76 -0.46 0.92 0.08 -0.20 -4.74 117.98 111.46 1f1a s PHE 50 Ca -0.12 -0.20 0.03 0.00 0.12 0.00 0.00 56.93 56.76 1f1a s PHE 50 Cb 0.13 -1.24 0.46 0.00 -0.57 0.00 0.00 43.02 41.80 1f1a s PHE 50 CO 0.86 0.59 1.60 0.41 -0.10 0.00 0.00 175.22 178.58 1f1a n GLY 51 N -0.82 6.07 3.51 4.36 0.00 -1.04 -2.27 105.19 115.00 1f1a n GLY 51 Ca -0.07 -2.41 -0.43 0.00 0.00 0.00 0.00 46.02 43.10 1f1a n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f1a s ASP 52 N -2.72 6.32 -0.31 1.61 -1.08 -1.26 -4.91 116.67 114.32 1f1a s ASP 52 Ca 0.57 -0.41 0.10 0.00 -0.52 0.00 0.00 52.55 52.29 1f1a s ASP 52 Cb 0.46 -2.34 0.68 0.00 -1.46 0.00 0.00 42.92 40.26 1f1a s ASP 52 CO 0.02 -0.86 1.71 0.00 0.52 0.00 0.00 175.17 176.55 1f1a n ALA 53 N 6.43 4.39 0.19 3.66 0.00 -1.26 -3.28 120.51 130.63 1f1a n ALA 53 Ca -0.02 -2.51 0.05 0.00 0.00 0.00 0.00 53.44 50.96 1f1a n ALA 53 Cb 0.47 -1.11 0.35 0.00 0.00 0.00 0.00 19.45 19.16 1f1a n ALA 53 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1f1a h THR 54 N 2.16 0.98 -2.15 0.00 1.35 -1.92 -3.29 112.91 110.03 1f1a h THR 54 Ca 0.25 -1.50 -0.58 0.00 -0.55 0.00 0.00 66.41 64.03 1f1a h THR 54 Cb 2.15 1.88 -0.41 0.00 -1.73 0.00 0.00 68.15 70.04 1f1a h THR 54 CO 0.64 0.38 -0.75 -3.20 -0.25 0.00 0.00 175.52 172.35 1f1a n ASN 55 N -3.65 2.95 0.00 5.36 5.15 -1.26 -5.05 115.26 118.76 1f1a n ASN 55 Ca -0.01 -3.30 0.00 0.00 -0.60 0.00 0.00 54.58 50.67 1f1a n ASN 55 Cb 0.49 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 1f1a n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f1a n GLY 56 N 0.75 3.06 0.14 8.20 0.00 -1.24 -2.16 105.19 113.94 1f1a n GLY 56 Ca 0.28 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1f1a n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1a h VAL 58 N 0.67 1.27 0.00 0.00 2.07 -1.78 -3.13 116.25 115.35 1f1a h VAL 58 Ca 0.00 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1f1a h VAL 58 Cb 0.55 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1f1a h VAL 58 CO 0.00 0.40 0.00 -1.54 0.02 0.00 0.00 177.57 176.45 1f1a n SER 59 N -4.32 0.00 0.01 0.57 3.41 -1.14 -2.76 113.62 109.39 1f1a n SER 59 Ca -0.01 -0.03 0.11 0.00 -0.26 0.00 0.00 58.87 58.69 1f1a n SER 59 Cb 0.35 -0.19 0.48 0.00 -0.26 0.00 0.00 64.21 64.60 1f1a n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f1a n ALA 60 N -1.19 2.05 -0.08 7.33 0.00 -1.18 -4.33 120.51 123.10 1f1a n ALA 60 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1f1a n ALA 60 Cb 0.07 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1f1a n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1a n GLY 61 N 0.86 -1.53 3.94 0.00 0.00 -1.11 -1.03 105.19 106.32 1f1a n GLY 61 Ca 0.05 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 1f1a n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f1a s PRO 62 N 0.00 1.21 0.39 1.61 0.04 -1.26 -4.62 135.00 132.36 1f1a s PRO 62 Ca 0.00 -0.45 -0.27 0.00 0.04 0.00 0.00 61.00 60.32 1f1a s PRO 62 Cb 0.00 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 1f1a s PRO 62 CO 0.00 -1.98 1.38 0.72 0.04 0.00 0.00 177.00 177.16 1f1a n HIS 63 N -3.43 2.58 -1.73 0.56 8.25 -1.26 0.19 115.22 120.38 1f1a n HIS 63 Ca 0.13 0.48 -0.42 0.00 -0.26 0.00 0.00 57.72 57.66 1f1a n HIS 63 Cb 0.60 -2.46 -0.03 0.00 1.12 0.00 0.00 29.99 29.22 1f1a n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1f1a s PHE 64 N -1.14 1.40 -0.41 4.41 5.36 -0.44 -4.44 117.98 122.73 1f1a s PHE 64 Ca 0.57 -0.24 0.09 0.00 -0.96 0.00 0.00 56.93 56.38 1f1a s PHE 64 Cb -0.50 -4.16 0.28 0.00 -0.34 0.00 0.00 43.02 38.30 1f1a s PHE 64 CO 0.61 -5.10 0.67 -1.71 -1.46 0.00 0.00 175.22 168.24 1f1a n ASN 65 N 7.90 -0.34 0.25 6.13 5.15 -1.26 -2.00 115.26 131.09 1f1a n ASN 65 Ca 0.20 -2.94 0.11 0.00 -0.60 0.00 0.00 54.58 51.35 1f1a n ASN 65 Cb 0.42 -0.06 0.68 0.00 -0.53 0.00 0.00 39.78 40.29 1f1a n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1f1a h PRO 66 N 3.68 0.00 -0.47 1.20 0.13 -1.98 -2.48 132.00 132.08 1f1a h PRO 66 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1f1a h PRO 66 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1f1a h PRO 66 CO 0.43 0.13 0.00 1.19 -0.23 0.00 0.00 178.00 179.52 1f1a n PHE 67 N -3.82 0.62 -3.93 1.56 3.72 -1.26 -4.97 117.46 109.38 1f1a n PHE 67 Ca -0.02 -0.31 -0.26 0.00 -0.05 0.00 0.00 57.45 56.81 1f1a n PHE 67 Cb 0.24 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.77 1f1a n PHE 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1f1a n LYS 68 N 0.97 -3.74 -3.10 -1.08 5.02 -0.93 -5.00 118.16 110.29 1f1a n LYS 68 Ca 0.17 0.45 -0.19 0.00 -2.02 0.00 0.00 58.31 56.72 1f1a n LYS 68 Cb 0.44 -4.77 0.04 0.00 -0.02 0.00 0.00 35.03 30.71 1f1a n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1f1a s LYS 69 N -6.49 2.43 0.48 1.97 1.02 -1.26 -5.11 119.74 112.78 1f1a s LYS 69 Ca 0.12 -1.57 -0.02 0.00 0.02 0.00 0.00 55.97 54.52 1f1a s LYS 69 Cb -0.06 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1f1a s LYS 69 CO 0.87 -0.69 0.74 0.95 -0.92 0.00 0.00 175.35 176.31 1f1a s THR 70 N -2.59 4.19 0.34 2.17 -4.23 -1.26 -4.77 115.64 109.48 1f1a s THR 70 Ca 0.58 -0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 60.58 1f1a s THR 70 Cb -0.06 -3.58 -0.10 0.00 1.34 0.00 0.00 72.50 70.09 1f1a s THR 70 CO 0.36 -0.49 1.35 -2.28 -0.54 0.00 0.00 174.62 173.03 1f1a s HIS 71 N -2.68 2.93 0.07 3.99 2.46 0.38 -3.42 115.29 119.03 1f1a s HIS 71 Ca 0.49 1.34 -0.02 0.00 0.47 0.00 0.00 55.06 57.34 1f1a s HIS 71 Cb -0.10 -3.77 0.01 0.00 -0.13 0.00 0.00 32.58 28.59 1f1a s HIS 71 CO 0.41 -2.16 0.13 0.41 -2.47 0.00 0.00 174.74 171.06 1f1a n GLY 72 N 0.77 2.14 3.87 1.59 0.00 -1.26 -4.26 105.19 108.04 1f1a n GLY 72 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1f1a n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1a s ALA 73 N -1.37 3.31 0.52 4.61 0.00 -1.22 -4.73 121.76 122.89 1f1a s ALA 73 Ca 0.04 -0.19 0.25 0.00 0.00 0.00 0.00 51.96 52.06 1f1a s ALA 73 Cb -0.01 -2.76 1.37 0.00 0.00 0.00 0.00 23.12 21.72 1f1a s ALA 73 CO 0.03 -0.11 1.99 -1.00 0.00 0.00 0.00 175.76 176.67 1f1a h PRO 74 N 1.03 0.04 -0.00 0.00 0.13 -1.88 0.76 132.00 132.07 1f1a h PRO 74 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1f1a h PRO 74 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1f1a h PRO 74 CO 0.63 0.02 -0.21 0.25 -0.23 0.00 0.00 178.00 178.47 1f1a n THR 75 N -4.38 0.00 -2.55 1.56 -2.24 -1.26 -4.87 114.28 100.53 1f1a n THR 75 Ca 0.10 -0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.49 1f1a n THR 75 Cb 0.61 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1f1a n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1f1a s ASP 76 N -2.74 6.60 0.19 3.42 1.01 0.26 -4.95 116.67 120.46 1f1a s ASP 76 Ca 0.20 1.98 0.09 0.00 0.71 0.00 0.00 52.55 55.53 1f1a s ASP 76 Cb 0.19 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.58 1f1a s ASP 76 CO 0.55 -0.60 1.42 -0.08 0.21 0.00 0.00 175.17 176.67 1f1a h GLU 77 N 2.11 0.00 -4.39 8.23 4.81 -1.89 -3.39 114.58 120.06 1f1a h GLU 77 Ca -0.49 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.02 1f1a h GLU 77 Cb 1.22 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.33 1f1a h GLU 77 CO 0.61 0.82 -0.42 0.08 -0.73 0.00 0.00 179.01 179.37 1f1a s VAL 78 N -3.07 4.47 0.22 0.32 1.01 -1.26 -5.02 120.40 117.07 1f1a s VAL 78 Ca 0.00 -1.38 -0.22 0.00 0.00 0.00 0.00 61.98 60.39 1f1a s VAL 78 Cb 0.11 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.78 1f1a s VAL 78 CO 0.79 -0.57 0.65 0.00 0.00 0.00 0.00 175.10 175.98 1f1a s ARG 79 N 1.47 1.53 0.48 2.72 1.70 -1.22 -4.15 118.95 121.48 1f1a s ARG 79 Ca 0.04 -0.75 -0.15 0.00 -0.47 0.00 0.00 55.73 54.40 1f1a s ARG 79 Cb -0.24 0.59 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 1f1a s ARG 79 CO 0.03 -0.69 0.92 -1.01 -1.08 0.00 0.00 175.30 173.47 1f1a s HIS 80 N -3.84 3.45 0.34 5.89 3.76 -1.22 -4.69 115.29 118.98 1f1a s HIS 80 Ca 0.06 1.34 0.02 0.00 -0.15 0.00 0.00 55.06 56.34 1f1a s HIS 80 Cb -0.03 -2.69 0.62 0.00 1.11 0.00 0.00 32.58 31.59 1f1a s HIS 80 CO -0.03 -0.28 1.99 0.28 -0.85 0.00 0.00 174.74 175.85 1f1a h VAL 81 N 1.00 1.14 -0.06 -0.90 2.07 -1.83 -2.07 116.25 115.60 1f1a h VAL 81 Ca -0.47 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1f1a h VAL 81 Cb 1.19 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1f1a h VAL 81 CO 0.62 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.98 1f1a n GLY 82 N -1.43 -0.71 3.53 2.17 0.00 -0.85 -4.46 105.19 103.43 1f1a n GLY 82 Ca 0.08 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1f1a n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f1a s ASP 83 N -1.15 6.33 0.00 1.61 1.01 -0.78 -1.06 116.67 122.62 1f1a s ASP 83 Ca 0.11 -1.05 0.22 0.00 0.71 0.00 0.00 52.55 52.54 1f1a s ASP 83 Cb 0.05 -2.52 0.52 0.00 1.01 0.00 0.00 42.92 41.98 1f1a s ASP 83 CO 0.08 -1.58 1.45 0.23 0.21 0.00 0.00 175.17 175.56 1f1a n MET 84 N 8.63 2.48 0.00 8.23 2.81 -1.07 -3.93 117.12 134.27 1f1a n MET 84 Ca 0.14 -2.25 0.00 0.00 -1.81 0.00 0.00 57.70 53.78 1f1a n MET 84 Cb 0.49 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 1f1a n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f1a n GLY 85 N 1.51 1.22 3.59 3.03 0.00 -1.22 -4.79 105.19 108.52 1f1a n GLY 85 Ca 0.20 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1f1a n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1a s ASN 86 N -4.00 4.43 -0.04 1.61 0.01 -1.26 -0.46 114.94 115.23 1f1a s ASN 86 Ca 0.00 -0.40 0.03 0.00 -0.71 0.00 0.00 52.86 51.79 1f1a s ASN 86 Cb 0.00 -0.85 -0.03 0.00 0.41 0.00 0.00 41.25 40.78 1f1a s ASN 86 CO 0.00 0.17 -0.12 0.68 -1.51 0.00 0.00 177.10 176.31 1f1a s VAL 87 N -1.29 3.24 0.06 1.60 -7.23 -0.65 -4.86 120.40 111.28 1f1a s VAL 87 Ca 0.22 -0.72 -0.17 0.00 -1.81 0.00 0.00 61.98 59.51 1f1a s VAL 87 Cb -0.11 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.46 1f1a s VAL 87 CO 0.14 0.55 0.51 -0.54 -0.31 0.00 0.00 175.10 175.45 1f1a s LYS 88 N -0.89 4.07 0.04 4.82 1.02 -1.26 -1.31 119.74 126.23 1f1a s LYS 88 Ca 0.13 0.59 0.03 0.00 0.02 0.00 0.00 55.97 56.73 1f1a s LYS 88 Cb -0.11 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1f1a s LYS 88 CO 0.02 0.63 -0.02 0.95 -0.92 0.00 0.00 175.35 176.01 1f1a s THR 89 N -1.17 3.94 0.21 2.17 -4.23 0.55 -4.27 115.64 112.85 1f1a s THR 89 Ca 0.29 -0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1f1a s THR 89 Cb -0.18 -2.79 0.04 0.00 1.34 0.00 0.00 72.50 70.91 1f1a s THR 89 CO 0.17 0.28 0.28 -0.90 -0.54 0.00 0.00 174.62 173.91 1f1a n ASP 90 N 1.12 0.25 0.25 3.99 5.68 -0.07 -2.47 116.55 125.30 1f1a n ASP 90 Ca -0.13 -1.24 0.17 0.00 -0.50 0.00 0.00 54.79 53.09 1f1a n ASP 90 Cb 0.52 -0.19 0.90 0.00 -1.14 0.00 0.00 41.12 41.21 1f1a n ASP 90 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1f1a h GLU 91 N 0.00 0.00 -0.56 0.11 9.09 -1.91 0.10 114.58 121.42 1f1a h GLU 91 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 1f1a h GLU 91 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1f1a h GLU 91 CO 0.09 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.24 1f1a n ASN 92 N -2.71 3.64 -0.43 3.06 5.03 -1.26 -4.76 115.26 117.84 1f1a n ASN 92 Ca -0.02 -1.98 -0.06 0.00 0.87 0.00 0.00 54.58 53.39 1f1a n ASN 92 Cb 0.08 -0.37 -0.02 0.00 -1.02 0.00 0.00 39.78 38.45 1f1a n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f1a n GLY 93 N 1.46 0.79 3.70 7.41 0.00 0.16 -4.69 105.19 114.03 1f1a n GLY 93 Ca 0.21 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1f1a n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1a s VAL 94 N -2.21 4.63 -0.18 1.61 1.01 -1.26 -1.93 120.40 122.07 1f1a s VAL 94 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1f1a s VAL 94 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1f1a s VAL 94 CO 0.00 0.57 -0.12 0.00 0.00 0.00 0.00 175.10 175.55 1f1a s ALA 95 N -0.58 2.57 -0.07 5.51 0.00 0.61 -0.89 121.76 128.91 1f1a s ALA 95 Ca 0.10 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1f1a s ALA 95 Cb -0.12 -1.38 0.04 0.00 0.00 0.00 0.00 23.12 21.66 1f1a s ALA 95 CO 0.02 -0.23 0.16 0.21 0.00 0.00 0.00 175.76 175.92 1f1a s LYS 96 N 1.14 0.11 0.00 0.00 2.20 -1.26 -0.20 119.74 121.73 1f1a s LYS 96 Ca 0.01 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1f1a s LYS 96 Cb -0.14 -0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.01 1f1a s LYS 96 CO -0.04 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 1f1a n GLY 97 N 4.17 -1.18 3.40 5.54 0.00 -0.68 -5.00 105.19 111.44 1f1a n GLY 97 Ca -0.26 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1f1a n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f1a s SER 98 N -4.00 -0.49 0.10 1.61 1.04 -1.26 -0.44 113.70 110.26 1f1a s SER 98 Ca 0.00 -0.03 -0.26 0.00 0.48 0.00 0.00 55.95 56.14 1f1a s SER 98 Cb 0.00 0.57 0.08 0.00 0.10 0.00 0.00 66.02 66.76 1f1a s SER 98 CO 0.00 -0.92 0.82 0.72 0.98 0.00 0.00 173.24 174.84 1f1a s PHE 99 N -3.61 -0.32 0.06 5.02 -0.12 -0.08 -4.98 117.98 113.95 1f1a s PHE 99 Ca 0.01 0.09 0.04 0.00 -0.05 0.00 0.00 56.93 57.02 1f1a s PHE 99 Cb -0.00 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 1f1a s PHE 99 CO -0.11 -0.76 -0.00 0.15 -0.05 0.00 0.00 175.22 174.45 1f1a s LYS 100 N -3.39 2.61 -0.06 1.99 1.02 -1.26 0.18 119.74 120.83 1f1a s LYS 100 Ca 0.06 -0.78 -0.05 0.00 0.02 0.00 0.00 55.97 55.23 1f1a s LYS 100 Cb -0.02 -2.57 0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1f1a s LYS 100 CO -0.05 0.56 0.15 0.34 -0.92 0.00 0.00 175.35 175.43 1f1a s ASP 101 N -2.09 -0.15 0.00 2.83 2.15 -0.38 -4.94 116.67 114.09 1f1a s ASP 101 Ca 0.24 0.31 0.24 0.00 0.43 0.00 0.00 52.55 53.77 1f1a s ASP 101 Cb -0.12 0.28 0.36 0.00 -0.30 0.00 0.00 42.92 43.15 1f1a s ASP 101 CO 0.16 -0.08 1.36 -1.20 -0.17 0.00 0.00 175.17 175.24 1f1a n SER 102 N 3.36 2.91 -0.12 -0.34 7.64 -1.26 -1.20 113.62 124.61 1f1a n SER 102 Ca -0.16 -1.94 -0.15 0.00 1.01 0.00 0.00 58.87 57.63 1f1a n SER 102 Cb 0.57 -0.07 -0.13 0.00 -1.01 0.00 0.00 64.21 63.57 1f1a n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f1a n LEU 103 N 1.22 1.91 -4.68 -3.43 4.77 -1.26 -4.91 117.00 110.62 1f1a n LEU 103 Ca 0.16 -0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 1f1a n LEU 103 Cb 0.57 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1f1a n LEU 103 CO 0.15 0.78 1.04 -0.63 -1.33 0.00 0.00 177.39 177.40 1f1a s ILE 104 N -2.51 4.18 0.05 -0.08 1.01 -1.26 -5.01 121.20 117.58 1f1a s ILE 104 Ca -0.26 1.48 0.04 0.00 0.00 0.00 0.00 60.65 61.91 1f1a s ILE 104 Cb 0.08 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1f1a s ILE 104 CO 0.68 -0.06 -0.12 -0.54 0.00 0.00 0.00 174.94 174.91 1f1a s LYS 105 N 2.79 0.75 0.00 2.79 1.02 -1.26 -4.12 119.74 121.71 1f1a s LYS 105 Ca 0.57 -0.82 0.21 0.00 0.02 0.00 0.00 55.97 55.95 1f1a s LYS 105 Cb -0.25 -0.70 -0.13 0.00 -0.52 0.00 0.00 37.83 36.23 1f1a s LYS 105 CO 0.20 0.16 0.95 1.28 -0.92 0.00 0.00 175.35 177.02 1f1a n LEU 106 N 1.56 1.40 -4.22 3.17 4.77 -1.26 -1.00 117.00 121.42 1f1a n LEU 106 Ca -0.20 -0.61 -0.24 0.00 -0.03 0.00 0.00 56.01 54.93 1f1a n LEU 106 Cb 0.55 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.50 1f1a n LEU 106 CO 0.22 0.30 -0.50 -0.63 -1.33 0.00 0.00 177.39 175.44 1f1a s ILE 107 N -2.71 1.51 0.00 -0.08 1.01 -1.26 -4.76 121.20 114.91 1f1a s ILE 107 Ca 0.12 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1f1a s ILE 107 Cb 0.16 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1f1a s ILE 107 CO 0.72 0.11 0.00 0.61 0.00 0.00 0.00 174.94 176.37 1f1a n GLY 108 N 1.75 -3.76 0.34 6.18 0.00 -1.26 -4.34 105.19 104.10 1f1a n GLY 108 Ca -0.18 -1.95 0.18 0.00 0.00 0.00 0.00 46.02 44.07 1f1a n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f1a h PRO 109 N 0.00 0.00 -0.56 1.61 0.13 -1.99 -1.64 132.00 129.54 1f1a h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1f1a h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1f1a h PRO 109 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1f1a n THR 110 N -3.38 1.93 -1.60 1.56 -2.24 -1.26 -5.01 114.28 104.28 1f1a n THR 110 Ca -0.01 -1.30 -0.47 0.00 -2.27 0.00 0.00 64.05 60.01 1f1a n THR 110 Cb 0.26 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 1f1a n THR 110 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1f1a n SER 111 N 0.79 1.57 -0.57 3.42 2.88 -0.62 -4.49 113.62 116.60 1f1a n SER 111 Ca 0.24 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 59.07 1f1a n SER 111 Cb 0.89 -1.27 0.44 0.00 -0.75 0.00 0.00 64.21 63.51 1f1a n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1f1a n VAL 112 N 1.17 0.05 -1.86 2.46 0.24 -0.17 -4.90 118.33 115.33 1f1a n VAL 112 Ca 0.13 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 1f1a n VAL 112 Cb 0.28 0.60 -0.02 0.00 -1.47 0.00 0.00 33.84 33.23 1f1a n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1f1a s VAL 113 N -1.95 2.30 0.00 3.34 1.01 -1.26 -1.23 120.40 122.61 1f1a s VAL 113 Ca 0.36 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1f1a s VAL 113 Cb 0.20 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1f1a s VAL 113 CO 0.32 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1f1a n GLY 114 N 2.50 1.02 3.76 4.51 0.00 -0.30 -5.01 105.19 111.67 1f1a n GLY 114 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1f1a n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f1a n ARG 115 N -2.00 0.65 -4.29 1.61 1.74 -0.37 -2.50 116.66 111.50 1f1a n ARG 115 Ca 0.00 -3.16 -0.28 0.00 -0.77 0.00 0.00 57.85 53.65 1f1a n ARG 115 Cb 0.00 -0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 1f1a n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1f1a s SER 116 N -4.36 4.18 -0.10 0.55 0.01 -0.96 -0.43 113.70 112.58 1f1a s SER 116 Ca 0.48 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1f1a s SER 116 Cb -0.04 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 1f1a s SER 116 CO 0.30 0.13 -0.10 -0.69 0.41 0.00 0.00 173.24 173.30 1f1a s VAL 117 N -1.52 3.40 -0.05 3.43 1.01 -0.28 -0.30 120.40 126.09 1f1a s VAL 117 Ca 0.23 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1f1a s VAL 117 Cb -0.09 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 1f1a s VAL 117 CO 0.14 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.91 1f1a s VAL 118 N -0.16 1.60 -0.20 2.92 1.01 0.46 -1.90 120.40 124.13 1f1a s VAL 118 Ca 0.01 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 1f1a s VAL 118 Cb -0.13 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1f1a s VAL 118 CO 0.03 0.46 0.05 -0.51 0.00 0.00 0.00 175.10 175.13 1f1a s ILE 119 N 0.05 4.52 0.60 2.22 1.10 -1.00 -1.57 121.20 127.12 1f1a s ILE 119 Ca -0.05 -0.12 -0.05 0.00 -0.51 0.00 0.00 60.65 59.91 1f1a s ILE 119 Cb -0.13 -3.06 0.02 0.00 0.15 0.00 0.00 42.46 39.45 1f1a s ILE 119 CO 0.03 0.42 0.90 -1.00 -2.11 0.00 0.00 174.94 173.19 1f1a s HIS 120 N 0.77 3.17 -0.22 3.50 3.76 0.12 -3.46 115.29 122.93 1f1a s HIS 120 Ca 0.03 0.55 0.22 0.00 -0.15 0.00 0.00 55.06 55.71 1f1a s HIS 120 Cb -0.14 -2.80 -0.02 0.00 1.11 0.00 0.00 32.58 30.73 1f1a s HIS 120 CO 0.02 -0.91 1.00 0.00 -0.85 0.00 0.00 174.74 174.01 1f1a n ALA 121 N -2.60 2.48 -2.61 -1.40 0.00 -0.41 -4.55 120.51 111.42 1f1a n ALA 121 Ca 0.05 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.94 1f1a n ALA 121 Cb 0.58 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.86 1f1a n ALA 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1f1a s GLY 122 N -4.41 2.60 0.27 0.00 0.00 0.26 -4.97 107.32 101.07 1f1a s GLY 122 Ca -0.01 -1.69 -0.21 0.00 0.00 0.00 0.00 44.72 42.80 1f1a s GLY 122 CO 0.80 -2.08 0.80 1.62 0.00 0.00 0.00 173.10 174.24 1f1a s GLN 123 N -3.83 4.34 -0.12 2.90 0.74 -1.24 -0.98 119.66 121.47 1f1a s GLN 123 Ca 0.28 1.01 -0.26 0.00 0.05 0.00 0.00 55.36 56.45 1f1a s GLN 123 Cb 0.06 -2.81 -0.02 0.00 1.10 0.00 0.00 33.01 31.34 1f1a s GLN 123 CO 0.15 0.33 0.83 0.34 -0.55 0.00 0.00 175.29 176.39 1f1a s ASP 124 N -1.69 7.03 0.00 6.67 -1.08 -1.26 -4.03 116.67 122.31 1f1a s ASP 124 Ca 0.46 1.26 0.21 0.00 -0.52 0.00 0.00 52.55 53.96 1f1a s ASP 124 Cb -0.17 -2.46 1.23 0.00 -1.46 0.00 0.00 42.92 40.06 1f1a s ASP 124 CO 0.21 -0.31 1.79 -0.90 0.52 0.00 0.00 175.17 176.48 1f1a n ASP 125 N 4.68 0.00 -1.96 -0.34 5.68 -0.05 -4.90 116.55 119.66 1f1a n ASP 125 Ca 0.03 -1.36 -0.20 0.00 -0.50 0.00 0.00 54.79 52.77 1f1a n ASP 125 Cb 0.50 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.43 1f1a n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1f1a n LEU 126 N -0.82 -1.62 -0.00 -2.12 4.77 -1.26 -1.63 117.00 114.32 1f1a n LEU 126 Ca 0.15 0.26 -0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1f1a n LEU 126 Cb 0.07 -2.77 -0.00 0.00 -2.33 0.00 0.00 43.42 38.39 1f1a n LEU 126 CO 0.12 -0.64 -0.00 0.61 -1.33 0.00 0.00 177.39 176.15 1f1a n GLY 127 N -0.66 0.48 0.70 -0.72 0.00 -1.25 -3.40 105.19 100.35 1f1a n GLY 127 Ca -0.21 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.78 1f1a n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f1a n LYS 128 N -2.97 1.75 -1.70 1.61 4.01 -0.64 -4.70 118.16 115.51 1f1a n LYS 128 Ca -0.00 -1.40 -0.33 0.00 -0.51 0.00 0.00 58.31 56.07 1f1a n LYS 128 Cb 0.00 -1.47 0.05 0.00 -0.51 0.00 0.00 35.03 33.10 1f1a n LYS 128 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1f1a s GLY 129 N -2.22 2.07 -0.20 0.72 0.00 -1.26 -4.90 107.32 101.54 1f1a s GLY 129 Ca 0.25 0.48 -0.01 0.00 0.00 0.00 0.00 44.72 45.45 1f1a s GLY 129 CO 0.42 0.83 1.98 1.22 0.00 0.00 0.00 173.10 177.56 1f1a n ASP 130 N -2.56 5.96 -4.22 1.64 8.00 -1.26 -4.78 116.55 119.32 1f1a n ASP 130 Ca 0.10 -2.81 -0.18 0.00 0.71 0.00 0.00 54.79 52.61 1f1a n ASP 130 Cb 0.52 -1.07 -0.11 0.00 -0.02 0.00 0.00 41.12 40.44 1f1a n ASP 130 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1f1a s THR 131 N -1.44 1.24 0.33 -3.53 -4.23 -1.26 -5.03 115.64 101.72 1f1a s THR 131 Ca 0.19 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 59.16 1f1a s THR 131 Cb 0.15 -1.39 0.15 0.00 1.34 0.00 0.00 72.50 72.75 1f1a s THR 131 CO -0.00 -0.37 1.85 1.05 -0.54 0.00 0.00 174.62 176.62 1f1a h GLU 132 N 3.76 0.52 0.00 3.99 9.09 -2.01 -1.82 114.58 128.11 1f1a h GLU 132 Ca -0.40 -0.12 -0.04 0.00 0.05 0.00 0.00 59.36 58.85 1f1a h GLU 132 Cb 1.19 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.22 1f1a h GLU 132 CO 0.48 0.57 -0.20 0.93 0.05 0.00 0.00 179.01 180.84 1f1a h GLU 133 N 0.50 0.00 -0.46 1.06 4.39 -1.95 -2.02 114.58 116.09 1f1a h GLU 133 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1f1a h GLU 133 Cb 0.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1f1a h GLU 133 CO 0.02 0.20 0.23 1.03 -1.16 0.00 0.00 179.01 179.32 1f1a h SER 134 N 0.00 0.57 0.60 1.42 0.87 -1.63 0.71 113.55 116.09 1f1a h SER 134 Ca -0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1f1a h SER 134 Cb 0.37 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1f1a h SER 134 CO 0.03 0.49 -0.05 0.18 -0.53 0.00 0.00 176.83 176.94 1f1a n LEU 135 N -4.39 0.14 -0.07 2.23 4.77 -0.77 -1.90 117.00 117.01 1f1a n LEU 135 Ca 0.04 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 1f1a n LEU 135 Cb 0.12 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1f1a n LEU 135 CO 0.37 0.03 -0.79 0.29 -1.33 0.00 0.00 177.39 175.96 1f1a n LYS 136 N -1.26 0.39 0.00 3.23 4.76 -0.67 -0.47 118.16 124.14 1f1a n LYS 136 Ca 0.12 0.16 0.01 0.00 -2.87 0.00 0.00 58.31 55.73 1f1a n LYS 136 Cb 0.27 -1.17 -0.00 0.00 -1.84 0.00 0.00 35.03 32.29 1f1a n LYS 136 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1f1a n THR 137 N -4.03 0.00 -1.03 -0.18 -2.24 0.16 -4.63 114.28 102.33 1f1a n THR 137 Ca -0.23 -0.48 -0.01 0.00 -2.27 0.00 0.00 64.05 61.07 1f1a n THR 137 Cb 0.55 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1f1a n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f1a n GLY 138 N 0.87 0.43 2.86 3.38 0.00 -0.80 -3.45 105.19 108.48 1f1a n GLY 138 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1f1a n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f1a n ASN 139 N -0.07 -4.88 0.00 1.61 3.02 -1.25 -0.87 115.26 112.82 1f1a n ASN 139 Ca -0.01 -0.14 0.10 0.00 -0.03 0.00 0.00 54.58 54.50 1f1a n ASN 139 Cb 0.14 -4.03 0.53 0.00 -0.61 0.00 0.00 39.78 35.82 1f1a n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f1a n ALA 140 N -2.94 2.11 0.00 5.41 0.00 -1.22 -4.74 120.51 119.13 1f1a n ALA 140 Ca -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1f1a n ALA 140 Cb 0.61 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1f1a n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1a n GLY 141 N 0.31 -1.60 3.48 0.00 0.00 -1.26 -0.57 105.19 105.54 1f1a n GLY 141 Ca 0.12 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 1f1a n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1f1a n PRO 142 N 0.00 -1.99 -3.83 1.61 -0.02 -1.26 -4.68 135.00 124.83 1f1a n PRO 142 Ca 0.00 -0.54 -0.32 0.00 -2.02 0.00 0.00 63.50 60.62 1f1a n PRO 142 Cb 0.00 -2.14 -0.11 0.00 -0.02 0.00 0.00 33.50 31.22 1f1a n PRO 142 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1f1a s ARG 143 N -4.31 2.47 0.48 -0.52 0.52 -1.26 -1.29 118.95 115.03 1f1a s ARG 143 Ca 0.67 -2.92 0.19 0.00 -0.52 0.00 0.00 55.73 53.15 1f1a s ARG 143 Cb -0.24 -3.55 1.18 0.00 0.52 0.00 0.00 34.95 32.86 1f1a s ARG 143 CO 0.64 -1.20 2.03 -1.00 0.02 0.00 0.00 175.30 175.79 1f1a h PRO 144 N 6.23 0.00 -3.20 3.54 0.13 -1.87 -3.45 132.00 133.39 1f1a h PRO 144 Ca 0.04 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.06 1f1a h PRO 144 Cb 0.85 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.80 1f1a h PRO 144 CO 0.73 0.16 -0.27 0.00 -0.23 0.00 0.00 178.00 178.39 1f1a s ALA 145 N -4.50 -0.71 0.17 -0.56 0.00 -1.25 -4.07 121.76 110.83 1f1a s ALA 145 Ca -0.04 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 1f1a s ALA 145 Cb 0.15 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.54 1f1a s ALA 145 CO 0.66 -0.34 0.70 0.00 0.00 0.00 0.00 175.76 176.78 1f1a s GLY 147 N -2.78 -0.48 0.08 0.00 0.00 -0.80 -1.34 107.32 102.01 1f1a s GLY 147 Ca 0.05 1.17 -0.28 0.00 0.00 0.00 0.00 44.72 45.66 1f1a s GLY 147 CO -0.06 0.85 0.87 0.14 0.00 0.00 0.00 173.10 174.90 1f1a s VAL 148 N -1.04 4.61 -0.44 1.40 1.01 -1.26 -1.13 120.40 123.55 1f1a s VAL 148 Ca -0.10 1.86 -0.29 0.00 0.00 0.00 0.00 61.98 63.45 1f1a s VAL 148 Cb -0.02 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.16 1f1a s VAL 148 CO 0.08 0.34 1.24 -0.63 0.00 0.00 0.00 175.10 176.13 1f1a s ILE 149 N -0.03 4.11 0.30 2.22 1.01 0.42 -4.34 121.20 124.89 1f1a s ILE 149 Ca 0.43 1.16 0.09 0.00 0.00 0.00 0.00 60.65 62.32 1f1a s ILE 149 Cb -0.22 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 1f1a s ILE 149 CO 0.27 -0.86 0.08 -0.83 0.00 0.00 0.00 174.94 173.59 1f1a s GLY 150 N 2.94 1.77 0.40 6.18 0.00 0.31 -1.15 107.32 117.76 1f1a s GLY 150 Ca 0.53 -1.71 -0.24 0.00 0.00 0.00 0.00 44.72 43.29 1f1a s GLY 150 CO 0.31 -1.71 1.07 1.08 0.00 0.00 0.00 173.10 173.85 1f1a s LEU 151 N -3.77 4.16 0.35 0.66 1.43 -1.26 -0.74 118.68 119.51 1f1a s LEU 151 Ca 0.34 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.56 1f1a s LEU 151 Cb -0.05 -4.14 -0.01 0.00 0.03 0.00 0.00 46.19 42.03 1f1a s LEU 151 CO 0.22 -0.53 0.42 0.28 0.23 0.00 0.00 176.35 176.97 1f1a s THR 152 N -1.59 0.00 0.00 5.49 -1.32 -0.63 -4.81 115.64 112.78 1f1a s THR 152 Ca 0.57 -1.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 1f1a s THR 152 Cb -0.24 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 1f1a s THR 152 CO 0.30 0.00 0.28 -0.46 -2.21 0.00 0.00 174.62 172.54