#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a20 n LEU 2 N 0.00 3.68 -4.87 3.17 4.77 -1.26 -4.91 117.00 117.57 3a20 n LEU 2 Ca 0.00 0.99 -0.31 0.00 -0.03 0.00 0.00 56.01 56.66 3a20 n LEU 2 Cb 0.00 -1.46 0.03 0.00 -2.33 0.00 0.00 43.42 39.66 3a20 n LEU 2 CO 0.00 0.01 0.73 -2.16 -1.33 0.00 0.00 177.39 174.64 3a20 s PRO 3 N 3.13 3.29 0.32 3.23 0.04 -1.26 -4.96 135.00 138.79 3a20 s PRO 3 Ca 0.86 0.63 0.06 0.00 0.04 0.00 0.00 61.00 62.59 3a20 s PRO 3 Cb -0.59 -2.06 0.70 0.00 0.04 0.00 0.00 34.50 32.60 3a20 s PRO 3 CO 0.43 -0.77 1.84 0.78 0.04 0.00 0.00 177.00 179.33 3a20 h GLY 4 N -0.46 1.48 1.53 0.56 0.00 -2.00 -0.36 103.07 103.81 3a20 h GLY 4 Ca -0.44 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 46.54 3a20 h GLY 4 CO 0.63 0.09 0.29 -0.84 0.00 0.00 0.00 176.54 176.71 3a20 h THR 5 N 0.82 1.08 -0.53 4.70 2.02 -1.99 -0.92 112.91 118.09 3a20 h THR 5 Ca 0.49 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.44 3a20 h THR 5 Cb 0.67 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3a20 h THR 5 CO -0.26 0.10 0.15 0.15 0.37 0.00 0.00 175.52 176.03 3a20 h PHE 6 N 0.55 0.87 0.00 3.16 3.04 -1.43 -1.63 116.94 121.50 3a20 h PHE 6 Ca 0.17 -0.10 -0.07 0.00 3.98 0.00 0.00 57.97 61.95 3a20 h PHE 6 Cb 0.00 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.25 3a20 h PHE 6 CO -0.00 0.75 -0.35 0.74 -2.02 0.00 0.00 178.31 177.43 3a20 h PHE 7 N 0.74 0.00 -0.52 0.41 0.04 -1.10 -2.22 116.94 114.29 3a20 h PHE 7 Ca 0.17 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.83 3a20 h PHE 7 Cb 0.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 3a20 h PHE 7 CO 0.02 0.35 -0.12 0.93 -0.60 0.00 0.00 178.31 178.89 3a20 h GLU 8 N 0.00 0.99 -0.92 1.51 4.39 -0.65 -2.52 114.58 117.38 3a20 h GLU 8 Ca -0.00 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 3a20 h GLU 8 Cb 0.69 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 3a20 h GLU 8 CO 0.05 1.04 0.58 0.28 -1.16 0.00 0.00 179.01 179.79 3a20 h VAL 9 N 0.88 1.25 0.00 3.13 2.07 -0.73 -1.76 116.25 121.08 3a20 h VAL 9 Ca 0.13 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3a20 h VAL 9 Cb 0.68 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3a20 h VAL 9 CO 0.05 0.25 0.00 0.18 0.02 0.00 0.00 177.57 178.07 3a20 n LEU 10 N -4.37 0.00 -0.05 2.57 4.77 -0.94 -1.24 117.00 117.74 3a20 n LEU 10 Ca 0.10 0.45 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 3a20 n LEU 10 Cb 0.04 -0.45 0.60 0.00 -2.33 0.00 0.00 43.42 41.29 3a20 n LEU 10 CO 0.37 -0.27 0.88 0.29 -1.33 0.00 0.00 177.39 177.33 3a20 n LYS 11 N -1.45 0.39 -4.49 3.23 5.02 -0.66 -4.70 118.16 115.50 3a20 n LYS 11 Ca 0.03 -0.10 -0.29 0.00 -2.02 0.00 0.00 58.31 55.94 3a20 n LYS 11 Cb 0.13 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.51 3a20 n LYS 11 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3a20 s ASN 12 N -2.68 3.32 0.52 4.39 0.01 -0.37 -5.11 114.94 115.01 3a20 s ASN 12 Ca 0.23 -0.71 -0.16 0.00 -0.71 0.00 0.00 52.86 51.51 3a20 s ASN 12 Cb 0.20 -0.25 -0.08 0.00 0.41 0.00 0.00 41.25 41.53 3a20 s ASN 12 CO 0.51 0.20 0.99 -0.70 -1.51 0.00 0.00 177.10 176.59 3a20 s GLU 13 N -1.91 3.91 0.00 -0.60 2.56 -1.26 -4.57 118.70 116.83 3a20 s GLU 13 Ca 0.14 0.95 0.00 0.00 0.00 0.00 0.00 54.97 56.06 3a20 s GLU 13 Cb -0.10 -2.13 0.00 0.00 2.00 0.00 0.00 34.13 33.90 3a20 s GLU 13 CO 0.05 -0.30 0.00 0.41 -0.56 0.00 0.00 175.26 174.86 3a20 n GLY 14 N -1.62 -0.77 3.56 -1.50 0.00 -1.26 -4.93 105.19 98.68 3a20 n GLY 14 Ca 0.07 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 3a20 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a20 s VAL 15 N -2.00 4.88 0.02 1.61 1.01 -1.26 -1.23 120.40 123.43 3a20 s VAL 15 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 3a20 s VAL 15 Cb 0.00 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 3a20 s VAL 15 CO 0.00 0.34 0.38 -0.69 0.00 0.00 0.00 175.10 175.13 3a20 s VAL 16 N 1.33 5.09 -0.05 2.92 1.01 0.09 -4.65 120.40 126.15 3a20 s VAL 16 Ca 0.06 0.64 0.06 0.00 0.00 0.00 0.00 61.98 62.74 3a20 s VAL 16 Cb -0.15 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 3a20 s VAL 16 CO 0.05 0.48 -0.24 0.00 0.00 0.00 0.00 175.10 175.39 3a20 s ALA 17 N -1.19 2.08 -0.17 5.51 0.00 -0.40 -2.11 121.76 125.48 3a20 s ALA 17 Ca 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3a20 s ALA 17 Cb -0.15 -0.64 0.04 0.00 0.00 0.00 0.00 23.12 22.36 3a20 s ALA 17 CO 0.14 0.40 -0.09 0.42 0.00 0.00 0.00 175.76 176.63 3a20 s ILE 18 N -0.16 1.41 -0.11 0.00 1.01 0.29 -1.24 121.20 122.41 3a20 s ILE 18 Ca -0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 3a20 s ILE 18 Cb -0.13 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3a20 s ILE 18 CO 0.03 0.24 0.05 0.00 0.00 0.00 0.00 174.94 175.26 3a20 s ALA 19 N 1.52 3.48 0.26 9.38 0.00 0.46 -1.57 121.76 135.28 3a20 s ALA 19 Ca 0.01 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.25 3a20 s ALA 19 Cb -0.15 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 3a20 s ALA 19 CO -0.09 0.56 0.05 0.95 0.00 0.00 0.00 175.76 177.24 3a20 s THR 20 N -0.81 0.82 -0.33 0.00 -4.23 -0.56 -1.81 115.64 108.70 3a20 s THR 20 Ca 0.13 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.44 3a20 s THR 20 Cb -0.12 -2.54 -0.01 0.00 1.34 0.00 0.00 72.50 71.17 3a20 s THR 20 CO 0.03 -0.13 0.56 -1.58 -0.54 0.00 0.00 174.62 172.95 3a20 s GLN 21 N -3.95 3.74 0.72 3.99 2.00 -1.26 -1.10 119.66 123.80 3a20 s GLN 21 Ca 0.34 0.02 -0.01 0.00 -2.00 0.00 0.00 55.36 53.70 3a20 s GLN 21 Cb 0.07 -3.78 0.12 0.00 0.80 0.00 0.00 33.01 30.23 3a20 s GLN 21 CO 0.12 -0.61 1.00 0.20 -0.50 0.00 0.00 175.29 175.49 3a20 s GLY 22 N 1.72 1.76 0.24 2.59 0.00 0.80 -4.69 107.32 109.75 3a20 s GLY 22 Ca 0.21 -1.67 -0.01 0.00 0.00 0.00 0.00 44.72 43.25 3a20 s GLY 22 CO 0.13 -1.11 1.67 0.83 0.00 0.00 0.00 173.10 174.61 3a20 h GLU 23 N -0.54 0.65 -0.56 2.90 5.08 -1.97 -3.29 114.58 116.86 3a20 h GLU 23 Ca -0.37 -0.26 -0.40 0.00 -1.00 0.00 0.00 59.36 57.34 3a20 h GLU 23 Cb 1.27 -0.03 -0.37 0.00 0.50 0.00 0.00 28.75 30.11 3a20 h GLU 23 CO 0.41 0.83 -0.86 -3.47 -1.00 0.00 0.00 179.01 174.92 3a20 n ASP 24 N -4.11 3.60 0.00 1.42 2.03 -1.26 -5.08 116.55 113.15 3a20 n ASP 24 Ca -0.00 -3.29 0.00 0.00 0.52 0.00 0.00 54.79 52.02 3a20 n ASP 24 Cb 0.42 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 3a20 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a20 n GLY 25 N -0.68 1.44 3.80 0.27 0.00 -1.24 -5.11 105.19 103.67 3a20 n GLY 25 Ca 0.31 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 3a20 n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a20 s PRO 26 N -1.20 2.10 0.11 1.61 0.04 -1.26 -0.14 135.00 136.25 3a20 s PRO 26 Ca 0.00 0.69 0.07 0.00 0.04 0.00 0.00 61.00 61.80 3a20 s PRO 26 Cb 0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 3a20 s PRO 26 CO 0.00 -1.62 -0.18 -1.58 0.04 0.00 0.00 177.00 173.66 3a20 s HIS 27 N -3.12 1.60 -0.06 0.56 2.46 -0.26 -4.63 115.29 111.83 3a20 s HIS 27 Ca 0.61 -0.46 -0.03 0.00 0.47 0.00 0.00 55.06 55.65 3a20 s HIS 27 Cb -0.15 -0.86 0.04 0.00 -0.13 0.00 0.00 32.58 31.49 3a20 s HIS 27 CO 0.55 0.18 0.13 -1.17 -2.47 0.00 0.00 174.74 171.96 3a20 s LEU 28 N -2.11 0.49 0.34 8.88 2.96 -1.26 -1.50 118.68 126.49 3a20 s LEU 28 Ca 0.07 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 3a20 s LEU 28 Cb -0.08 0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.82 3a20 s LEU 28 CO 0.04 -0.18 0.11 0.68 -1.32 0.00 0.00 176.35 175.68 3a20 s VAL 29 N 1.55 0.73 0.30 1.68 -7.23 -0.61 -4.96 120.40 111.86 3a20 s VAL 29 Ca -0.05 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 3a20 s VAL 29 Cb -0.12 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 3a20 s VAL 29 CO -0.05 0.00 0.09 0.20 -0.31 0.00 0.00 175.10 175.03 3a20 s ASN 30 N -3.48 1.78 0.20 4.85 -0.87 -1.26 -0.55 114.94 115.60 3a20 s ASN 30 Ca 0.32 -1.43 -0.06 0.00 -1.57 0.00 0.00 52.86 50.12 3a20 s ASN 30 Cb 0.06 0.14 0.02 0.00 -0.02 0.00 0.00 41.25 41.46 3a20 s ASN 30 CO 0.15 -0.73 0.36 1.07 -2.57 0.00 0.00 177.10 175.39 3a20 n THR 31 N -0.60 0.00 -4.17 1.60 5.66 -0.90 -4.97 114.28 110.91 3a20 n THR 31 Ca -0.01 -0.61 -0.29 0.00 -3.05 0.00 0.00 64.05 60.08 3a20 n THR 31 Cb 0.66 0.52 -0.08 0.00 -1.55 0.00 0.00 70.33 69.88 3a20 n THR 31 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 3a20 s TRP 32 N -5.13 2.90 0.23 1.09 0.52 -1.26 -0.73 118.94 116.56 3a20 s TRP 32 Ca 0.10 -0.08 -0.07 0.00 0.02 0.00 0.00 56.10 56.07 3a20 s TRP 32 Cb -0.02 -1.48 0.38 0.00 -1.15 0.00 0.00 33.47 31.19 3a20 s TRP 32 CO 0.07 0.47 1.72 -0.91 0.02 0.00 0.00 176.95 178.32 3a20 h ASN 33 N 3.38 0.15 0.54 2.95 4.21 -1.46 -0.54 115.58 124.80 3a20 h ASN 33 Ca -0.48 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.14 3a20 h ASN 33 Cb 1.17 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 3a20 h ASN 33 CO 0.57 0.06 0.00 -1.54 -1.29 0.00 0.00 177.43 175.23 3a20 n SER 34 N -5.06 0.48 0.11 5.81 3.41 -1.26 -2.58 113.62 114.53 3a20 n SER 34 Ca 0.12 0.64 0.10 0.00 -0.26 0.00 0.00 58.87 59.46 3a20 n SER 34 Cb 0.37 -0.73 0.01 0.00 -0.26 0.00 0.00 64.21 63.60 3a20 n SER 34 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3a20 h TYR 35 N 0.00 0.00 -2.89 7.33 0.99 -1.49 -3.47 116.97 117.45 3a20 h TYR 35 Ca 0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 3a20 h TYR 35 Cb 0.27 0.00 0.04 0.00 1.00 0.00 0.00 36.73 38.04 3a20 h TYR 35 CO 0.00 0.09 0.86 -0.51 -0.00 0.00 0.00 178.16 178.59 3a20 s LEU 36 N -5.56 4.37 -0.26 3.88 1.43 -1.06 -4.61 118.68 116.87 3a20 s LEU 36 Ca 0.00 2.59 -0.00 0.00 -1.03 0.00 0.00 54.13 55.69 3a20 s LEU 36 Cb 0.09 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.75 3a20 s LEU 36 CO 0.78 -0.80 -0.06 -0.75 0.23 0.00 0.00 176.35 175.75 3a20 s LYS 37 N 1.01 2.57 -0.15 1.70 2.47 -0.60 -4.96 119.74 121.79 3a20 s LYS 37 Ca 0.69 -1.15 -0.17 0.00 -1.56 0.00 0.00 55.97 53.77 3a20 s LYS 37 Cb -0.43 -3.00 -0.04 0.00 -1.46 0.00 0.00 37.83 32.90 3a20 s LYS 37 CO 0.32 -0.50 0.44 0.08 0.16 0.00 0.00 175.35 175.85 3a20 s VAL 38 N 1.25 5.20 0.35 4.02 1.01 -1.26 -0.41 120.40 130.56 3a20 s VAL 38 Ca -0.04 0.84 0.09 0.00 0.00 0.00 0.00 61.98 62.87 3a20 s VAL 38 Cb -0.18 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3a20 s VAL 38 CO -0.04 0.31 0.06 -0.76 0.00 0.00 0.00 175.10 174.67 3a20 s LEU 39 N 0.84 3.05 0.75 3.92 1.43 0.33 -5.01 118.68 123.99 3a20 s LEU 39 Ca 0.23 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 52.21 3a20 s LEU 39 Cb -0.15 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.70 3a20 s LEU 39 CO 0.09 -0.30 1.21 -1.81 0.23 0.00 0.00 176.35 175.76 3a20 s ASP 40 N -3.77 4.04 0.00 2.29 -0.00 -1.26 -2.91 116.67 115.06 3a20 s ASP 40 Ca 0.36 2.36 0.00 0.00 -0.00 0.00 0.00 52.55 55.27 3a20 s ASP 40 Cb 0.00 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.34 3a20 s ASP 40 CO 0.20 -2.37 0.00 0.61 -0.00 0.00 0.00 175.17 173.62 3a20 n GLY 41 N 0.41 0.56 3.76 0.21 0.00 -1.26 -4.15 105.19 104.72 3a20 n GLY 41 Ca 0.13 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 3a20 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a20 n ASN 42 N 1.74 -2.44 -4.39 1.61 3.02 -1.24 -4.79 115.26 108.77 3a20 n ASN 42 Ca 0.00 -0.80 -0.33 0.00 -0.03 0.00 0.00 54.58 53.43 3a20 n ASN 42 Cb 0.37 -4.05 -0.14 0.00 -0.61 0.00 0.00 39.78 35.35 3a20 n ASN 42 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3a20 s ARG 43 N -6.17 3.17 -0.18 3.52 0.52 -1.15 -0.40 118.95 118.26 3a20 s ARG 43 Ca 0.22 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 54.73 3a20 s ARG 43 Cb -0.11 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 32.80 3a20 s ARG 43 CO 0.81 0.31 -0.14 0.42 0.02 0.00 0.00 175.30 176.73 3a20 s ILE 44 N 0.09 2.70 -0.11 1.52 -1.09 0.19 -0.51 121.20 123.98 3a20 s ILE 44 Ca -0.06 -0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 57.60 3a20 s ILE 44 Cb -0.15 -2.17 -0.03 0.00 -1.58 0.00 0.00 42.46 38.53 3a20 s ILE 44 CO 0.05 0.50 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.56 3a20 s VAL 45 N 1.12 4.23 -0.07 2.92 1.01 0.45 -0.55 120.40 129.52 3a20 s VAL 45 Ca 0.01 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3a20 s VAL 45 Cb -0.14 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 3a20 s VAL 45 CO -0.04 0.56 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 3a20 s VAL 46 N -0.44 1.77 0.04 2.92 1.01 0.16 -1.55 120.40 124.31 3a20 s VAL 46 Ca 0.08 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 3a20 s VAL 46 Cb -0.12 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.68 3a20 s VAL 46 CO 0.02 0.50 1.28 -2.16 0.00 0.00 0.00 175.10 174.74 3a20 s PRO 47 N 0.17 4.37 -0.27 2.72 0.04 -1.26 -0.87 135.00 139.89 3a20 s PRO 47 Ca -0.10 1.86 -0.08 0.00 0.04 0.00 0.00 61.00 62.71 3a20 s PRO 47 Cb -0.15 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 3a20 s PRO 47 CO 0.05 -0.39 0.11 0.08 0.04 0.00 0.00 177.00 176.89 3a20 s VAL 48 N 1.51 4.48 -0.12 -0.36 1.01 -0.19 -4.90 120.40 121.82 3a20 s VAL 48 Ca 0.60 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 62.22 3a20 s VAL 48 Cb -0.31 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 3a20 s VAL 48 CO 0.28 0.24 -0.27 0.61 0.00 0.00 0.00 175.10 175.96 3a20 n GLY 49 N 4.95 -0.45 0.00 4.51 0.00 -1.26 0.03 105.19 112.97 3a20 n GLY 49 Ca -0.15 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3a20 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a20 n GLY 50 N 1.80 0.14 4.19 -0.02 0.00 -1.26 -4.64 105.19 105.39 3a20 n GLY 50 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3a20 n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a20 n MET 51 N 0.00 -3.10 0.06 1.61 2.00 -1.26 -4.88 117.12 111.56 3a20 n MET 51 Ca 0.00 0.37 -0.21 0.00 0.00 0.00 0.00 57.70 57.86 3a20 n MET 51 Cb 0.00 -4.96 -0.12 0.00 0.00 0.00 0.00 33.22 28.14 3a20 n MET 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3a20 h HIS 52 N -1.56 0.99 -0.38 2.03 3.86 -1.99 -0.93 115.15 117.19 3a20 h HIS 52 Ca -0.60 -0.59 -0.16 0.00 -1.16 0.00 0.00 60.37 57.87 3a20 h HIS 52 Cb 1.38 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.75 3a20 h HIS 52 CO 0.61 1.42 -0.39 0.87 0.86 0.00 0.00 177.93 181.30 3a20 h LYS 53 N 0.28 0.92 -0.51 2.45 1.57 -1.99 -1.69 116.57 117.60 3a20 h LYS 53 Ca -0.16 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.13 3a20 h LYS 53 Cb 1.78 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.08 3a20 h LYS 53 CO 0.21 1.14 0.30 1.15 -0.57 0.00 0.00 179.45 181.68 3a20 h THR 54 N 0.75 1.16 -0.67 -0.16 2.02 -1.95 -0.75 112.91 113.31 3a20 h THR 54 Ca 0.06 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 3a20 h THR 54 Cb 0.98 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 3a20 h THR 54 CO 0.10 0.17 0.24 -0.08 0.37 0.00 0.00 175.52 176.32 3a20 h GLU 55 N 0.68 1.01 -0.65 6.66 4.81 -1.01 -0.53 114.58 125.55 3a20 h GLU 55 Ca 0.18 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3a20 h GLU 55 Cb 0.01 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3a20 h GLU 55 CO -0.03 0.84 0.20 0.00 -0.73 0.00 0.00 179.01 179.29 3a20 h ALA 56 N 1.28 0.86 -0.54 2.92 0.00 -0.84 -1.79 119.26 121.14 3a20 h ALA 56 Ca 0.22 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3a20 h ALA 56 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3a20 h ALA 56 CO -0.01 0.53 0.05 -0.91 0.00 0.00 0.00 179.25 178.91 3a20 h ASN 57 N 0.95 0.89 -0.03 0.00 2.35 -0.60 -2.74 115.58 116.40 3a20 h ASN 57 Ca 0.21 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3a20 h ASN 57 Cb 0.30 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3a20 h ASN 57 CO -0.01 0.95 -0.06 0.58 -1.65 0.00 0.00 177.43 177.25 3a20 h VAL 58 N 0.81 1.14 -0.03 2.81 2.07 -0.88 0.10 116.25 122.27 3a20 h VAL 58 Ca 0.16 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3a20 h VAL 58 Cb 0.46 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3a20 h VAL 58 CO 0.02 0.18 -0.16 0.00 0.02 0.00 0.00 177.57 177.63 3a20 h ALA 59 N 1.73 1.67 0.08 1.67 0.00 -1.01 -2.98 119.26 120.42 3a20 h ALA 59 Ca 0.05 -0.17 -0.36 0.00 0.00 0.00 0.00 54.91 54.44 3a20 h ALA 59 Cb 0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3a20 h ALA 59 CO 0.01 0.24 -2.05 -2.13 0.00 0.00 0.00 179.25 175.33 3a20 n ARG 60 N -4.32 0.72 -3.57 0.00 0.63 -0.68 -4.84 116.66 104.60 3a20 n ARG 60 Ca -0.02 0.24 -0.24 0.00 -0.92 0.00 0.00 57.85 56.91 3a20 n ARG 60 Cb 0.24 -1.68 -0.15 0.00 0.45 0.00 0.00 32.46 31.31 3a20 n ARG 60 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3a20 s ASP 61 N -6.74 2.14 0.00 6.15 3.68 0.27 -5.02 116.67 117.14 3a20 s ASP 61 Ca -0.21 -0.55 0.20 0.00 2.13 0.00 0.00 52.55 54.12 3a20 s ASP 61 Cb 0.07 -0.05 0.86 0.00 -1.45 0.00 0.00 42.92 42.35 3a20 s ASP 61 CO 0.75 -0.35 1.65 -1.84 0.13 0.00 0.00 175.17 175.51 3a20 n GLU 62 N 5.29 0.00 -2.52 4.34 0.00 -1.13 -3.91 120.64 122.71 3a20 n GLU 62 Ca -0.06 0.15 -0.42 0.00 0.00 0.00 0.00 57.16 56.83 3a20 n GLU 62 Cb 0.49 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.40 3a20 n GLU 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3a20 s ARG 63 N -3.00 4.38 0.20 3.44 0.52 -1.26 -0.26 118.95 122.96 3a20 s ARG 63 Ca 0.10 1.60 0.04 0.00 -0.52 0.00 0.00 55.73 56.95 3a20 s ARG 63 Cb 0.13 -3.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.01 3a20 s ARG 63 CO 0.37 -0.40 -0.05 0.14 0.02 0.00 0.00 175.30 175.38 3a20 s VAL 64 N 2.10 1.15 0.01 3.52 -7.23 -0.24 -4.57 120.40 115.13 3a20 s VAL 64 Ca 0.54 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.72 3a20 s VAL 64 Cb -0.23 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 3a20 s VAL 64 CO 0.21 -0.49 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.54 3a20 s LEU 65 N -3.26 2.09 -0.02 1.32 1.43 -0.75 -2.41 118.68 117.08 3a20 s LEU 65 Ca 0.24 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3a20 s LEU 65 Cb 0.04 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.20 3a20 s LEU 65 CO 0.06 0.23 -0.04 -0.32 0.23 0.00 0.00 176.35 176.51 3a20 s MET 66 N -0.77 0.46 0.08 1.70 -2.45 0.50 -0.41 119.30 118.42 3a20 s MET 66 Ca 0.08 -0.12 0.06 0.00 -1.25 0.00 0.00 55.69 54.46 3a20 s MET 66 Cb -0.08 -0.49 -0.03 0.00 1.25 0.00 0.00 34.83 35.48 3a20 s MET 66 CO 0.00 0.03 -0.17 0.95 1.05 0.00 0.00 175.02 176.89 3a20 s THR 67 N 0.26 1.35 0.10 10.11 -4.23 -0.37 0.62 115.64 123.49 3a20 s THR 67 Ca -0.03 -1.38 -0.25 0.00 -1.18 0.00 0.00 61.69 58.85 3a20 s THR 67 Cb -0.06 -1.26 0.08 0.00 1.34 0.00 0.00 72.50 72.59 3a20 s THR 67 CO -0.00 -0.14 0.77 -1.48 -0.54 0.00 0.00 174.62 173.22 3a20 s LEU 68 N -1.77 -0.42 0.00 4.79 2.34 -1.10 -1.27 118.68 121.26 3a20 s LEU 68 Ca 0.02 -0.10 -0.04 0.00 0.06 0.00 0.00 54.13 54.06 3a20 s LEU 68 Cb -0.10 2.33 0.01 0.00 -0.56 0.00 0.00 46.19 47.87 3a20 s LEU 68 CO 0.03 -0.85 0.20 0.61 -1.06 0.00 0.00 176.35 175.27 3a20 n GLY 69 N -0.34 0.84 3.64 -3.48 0.00 -1.26 -0.52 105.19 104.06 3a20 n GLY 69 Ca -0.11 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 3a20 n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a20 s SER 70 N -1.45 -0.65 0.20 1.61 0.15 -0.35 -4.76 113.70 108.45 3a20 s SER 70 Ca 0.05 1.12 0.23 0.00 0.70 0.00 0.00 55.95 58.05 3a20 s SER 70 Cb -0.00 1.22 0.91 0.00 -1.71 0.00 0.00 66.02 66.44 3a20 s SER 70 CO 0.00 -0.18 1.70 -1.14 1.20 0.00 0.00 173.24 174.83 3a20 n ARG 71 N 3.36 0.17 0.00 5.44 3.00 -1.26 -1.96 116.66 125.41 3a20 n ARG 71 Ca -0.17 0.33 0.14 0.00 -0.00 0.00 0.00 57.85 58.16 3a20 n ARG 71 Cb 0.57 -1.79 0.61 0.00 0.00 0.00 0.00 32.46 31.86 3a20 n ARG 71 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3a20 n LYS 72 N -2.11 0.39 -4.49 -0.14 5.02 -1.26 -2.77 118.16 112.80 3a20 n LYS 72 Ca 0.03 -0.09 -0.33 0.00 -2.02 0.00 0.00 58.31 55.90 3a20 n LYS 72 Cb 0.27 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.64 3a20 n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3a20 s VAL 73 N -2.67 3.11 0.26 -0.18 1.01 -1.15 -4.90 120.40 115.87 3a20 s VAL 73 Ca 0.24 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 3a20 s VAL 73 Cb 0.20 -2.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.13 3a20 s VAL 73 CO 0.51 0.50 1.54 0.00 0.00 0.00 0.00 175.10 177.65 3a20 s ALA 74 N 0.70 3.71 0.40 5.51 0.00 -1.26 -1.55 121.76 129.27 3a20 s ALA 74 Ca -0.05 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3a20 s ALA 74 Cb -0.15 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.38 3a20 s ALA 74 CO 0.02 -0.87 0.18 0.41 0.00 0.00 0.00 175.76 175.50 3a20 n GLY 75 N 2.40 0.91 0.19 0.00 0.00 0.21 -4.70 105.19 104.20 3a20 n GLY 75 Ca 0.08 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 3a20 n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3a20 h ARG 76 N 0.00 0.22 0.00 1.61 3.08 -1.84 -3.34 114.38 114.12 3a20 h ARG 76 Ca -0.06 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3a20 h ARG 76 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3a20 h ARG 76 CO 0.07 0.63 0.00 0.09 -1.07 0.00 0.00 179.97 179.69 3a20 n ASN 77 N -4.00 1.50 0.00 7.04 5.03 -1.26 -5.10 115.26 118.47 3a20 n ASN 77 Ca -0.02 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.77 3a20 n ASN 77 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 3a20 n ASN 77 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a20 n GLY 78 N -0.33 -1.02 3.78 7.41 0.00 -1.25 -5.14 105.19 108.62 3a20 n GLY 78 Ca 0.00 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 3a20 n GLY 78 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a20 s PRO 79 N -2.00 3.99 0.00 1.61 0.02 -1.26 -0.62 135.00 136.74 3a20 s PRO 79 Ca 0.00 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3a20 s PRO 79 Cb 0.00 -2.88 0.00 0.00 0.02 0.00 0.00 34.50 31.64 3a20 s PRO 79 CO 0.00 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 3a20 n GLY 80 N 0.48 -0.64 3.78 0.52 0.00 -0.60 -4.63 105.19 104.11 3a20 n GLY 80 Ca 0.02 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 3a20 n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a20 s THR 81 N -2.13 0.00 0.15 2.61 -1.32 -0.83 -2.28 115.64 111.85 3a20 s THR 81 Ca 0.00 -1.09 -0.24 0.00 -1.21 0.00 0.00 61.69 59.15 3a20 s THR 81 Cb 0.00 -2.43 0.08 0.00 -1.51 0.00 0.00 72.50 68.64 3a20 s THR 81 CO 0.00 0.00 1.07 -0.83 -2.21 0.00 0.00 174.62 172.65 3a20 s GLY 82 N -3.02 0.00 0.06 6.08 0.00 -1.26 -1.21 107.32 107.97 3a20 s GLY 82 Ca 0.16 -0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.74 3a20 s GLY 82 CO 0.10 2.17 -0.08 -1.36 0.00 0.00 0.00 173.10 173.93 3a20 s PHE 83 N -2.35 0.77 -0.24 1.90 0.40 0.32 -1.80 117.98 116.98 3a20 s PHE 83 Ca 0.20 -0.59 -0.03 0.00 -0.60 0.00 0.00 56.93 55.91 3a20 s PHE 83 Cb -0.02 -0.45 0.01 0.00 0.51 0.00 0.00 43.02 43.07 3a20 s PHE 83 CO 0.04 -0.08 -0.04 -1.17 0.70 0.00 0.00 175.22 174.67 3a20 s LEU 84 N -1.93 3.13 -0.13 -0.37 2.96 -0.19 -2.70 118.68 119.45 3a20 s LEU 84 Ca -0.04 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.22 3a20 s LEU 84 Cb -0.07 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 3a20 s LEU 84 CO -0.00 -0.09 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.24 3a20 s ILE 85 N 1.42 3.65 -0.07 6.68 -1.09 0.20 -1.45 121.20 130.54 3a20 s ILE 85 Ca 0.03 -0.46 0.04 0.00 -2.23 0.00 0.00 60.65 58.04 3a20 s ILE 85 Cb -0.16 -2.56 -0.01 0.00 -1.58 0.00 0.00 42.46 38.15 3a20 s ILE 85 CO -0.03 0.53 -0.20 -0.13 -1.23 0.00 0.00 174.94 173.87 3a20 s ARG 86 N 0.08 2.69 0.13 2.79 0.52 -0.49 -0.37 118.95 124.30 3a20 s ARG 86 Ca -0.02 -0.82 -0.23 0.00 -0.52 0.00 0.00 55.73 54.14 3a20 s ARG 86 Cb -0.14 -2.30 0.08 0.00 0.52 0.00 0.00 34.95 33.12 3a20 s ARG 86 CO 0.03 0.41 1.09 0.41 0.02 0.00 0.00 175.30 177.26 3a20 n GLY 87 N 2.90 0.50 3.78 -3.53 0.00 -1.01 -0.32 105.19 107.51 3a20 n GLY 87 Ca -0.17 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 3a20 n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a20 s SER 88 N -3.53 5.78 0.11 1.61 1.04 -0.58 -1.08 113.70 117.05 3a20 s SER 88 Ca 0.25 0.29 0.06 0.00 0.48 0.00 0.00 55.95 57.03 3a20 s SER 88 Cb -0.02 -1.74 -0.04 0.00 0.10 0.00 0.00 66.02 64.31 3a20 s SER 88 CO 0.04 0.38 -0.05 0.00 0.98 0.00 0.00 173.24 174.59 3a20 s ALA 89 N -0.98 3.11 -0.08 5.32 0.00 0.64 -0.46 121.76 129.30 3a20 s ALA 89 Ca 0.15 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 50.74 3a20 s ALA 89 Cb -0.12 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.03 3a20 s ALA 89 CO 0.04 0.63 0.35 0.00 0.00 0.00 0.00 175.76 176.79 3a20 s ALA 90 N -1.34 -0.88 -0.17 0.00 0.00 -0.54 -4.83 121.76 114.00 3a20 s ALA 90 Ca 0.24 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 52.87 3a20 s ALA 90 Cb -0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3a20 s ALA 90 CO 0.16 -0.22 0.02 -0.06 0.00 0.00 0.00 175.76 175.67 3a20 s PHE 91 N -0.52 3.17 0.03 0.00 0.40 -1.26 -0.12 117.98 119.68 3a20 s PHE 91 Ca -0.06 -0.06 0.08 0.00 -0.60 0.00 0.00 56.93 56.29 3a20 s PHE 91 Cb -0.04 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 3a20 s PHE 91 CO 0.02 0.10 -0.23 1.03 0.70 0.00 0.00 175.22 176.84 3a20 s ARG 92 N 0.32 1.63 0.00 0.44 1.81 0.15 -4.94 118.95 118.37 3a20 s ARG 92 Ca 0.01 -0.97 0.03 0.00 -1.72 0.00 0.00 55.73 53.08 3a20 s ARG 92 Cb -0.13 -1.73 0.01 0.00 -0.45 0.00 0.00 34.95 32.65 3a20 s ARG 92 CO 0.01 0.45 0.47 0.25 -0.68 0.00 0.00 175.30 175.80 3a20 n THR 93 N 1.98 0.00 -3.91 0.02 -2.24 -1.26 -0.02 114.28 108.86 3a20 n THR 93 Ca -0.17 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.04 3a20 n THR 93 Cb 0.53 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 3a20 n THR 93 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3a20 s ASP 94 N -0.49 -0.08 0.00 3.42 -4.77 -1.26 -4.98 116.67 108.52 3a20 s ASP 94 Ca 0.03 -0.87 0.00 0.00 -3.30 0.00 0.00 52.55 48.41 3a20 s ASP 94 Cb 0.02 0.71 0.00 0.00 -1.09 0.00 0.00 42.92 42.56 3a20 s ASP 94 CO 0.05 -1.35 0.00 0.61 0.70 0.00 0.00 175.17 175.18 3a20 n GLY 95 N -0.46 0.25 0.34 2.12 0.00 -1.26 -4.17 105.19 102.01 3a20 n GLY 95 Ca -0.04 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.26 3a20 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a20 h PRO 96 N 0.00 0.22 -0.24 1.61 0.13 -2.01 -1.29 132.00 130.42 3a20 h PRO 96 Ca 0.00 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.99 3a20 h PRO 96 Cb 0.00 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.07 3a20 h PRO 96 CO 0.00 0.14 -0.38 0.93 -0.23 0.00 0.00 178.00 178.46 3a20 h GLU 97 N 0.23 0.54 -0.08 0.86 5.08 -2.00 -1.68 114.58 117.52 3a20 h GLU 97 Ca 0.21 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3a20 h GLU 97 Cb 0.54 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3a20 h GLU 97 CO -0.04 0.84 -0.35 0.35 -1.00 0.00 0.00 179.01 178.81 3a20 h PHE 98 N 0.45 0.50 -0.16 4.33 3.57 -1.51 -3.08 116.94 121.02 3a20 h PHE 98 Ca 0.04 -0.22 0.05 0.00 3.53 0.00 0.00 57.97 61.37 3a20 h PHE 98 Cb 0.87 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3a20 h PHE 98 CO 0.03 0.96 0.18 0.93 -2.23 0.00 0.00 178.31 178.18 3a20 h GLU 99 N -0.11 0.00 -0.06 1.11 4.39 -1.15 -0.46 114.58 118.31 3a20 h GLU 99 Ca -0.02 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.69 3a20 h GLU 99 Cb 0.99 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3a20 h GLU 99 CO 0.07 0.00 0.04 0.00 -1.16 0.00 0.00 179.01 177.96 3a20 h ALA 100 N 1.79 2.00 0.00 3.43 0.00 -1.21 -2.82 119.26 122.45 3a20 h ALA 100 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a20 h ALA 100 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3a20 h ALA 100 CO -0.00 -0.07 -0.00 0.44 0.00 0.00 0.00 179.25 179.62 3a20 n ILE 101 N -4.44 0.93 0.30 0.00 -6.64 -0.27 -4.75 119.36 104.47 3a20 n ILE 101 Ca -0.02 -0.93 0.19 0.00 -1.77 0.00 0.00 62.75 60.22 3a20 n ILE 101 Cb 0.15 0.53 1.02 0.00 -1.44 0.00 0.00 39.64 39.90 3a20 n ILE 101 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3a20 h ALA 102 N 0.00 1.04 0.00 -1.28 0.00 -1.04 -1.55 119.26 116.43 3a20 h ALA 102 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3a20 h ALA 102 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3a20 h ALA 102 CO 0.00 -0.04 -0.03 0.07 0.00 0.00 0.00 179.25 179.25 3a20 h ARG 103 N 0.00 0.00 -6.02 0.00 0.11 -1.86 -3.33 114.38 103.28 3a20 h ARG 103 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 3a20 h ARG 103 Cb 0.09 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.07 3a20 h ARG 103 CO 0.00 0.03 0.85 -0.06 0.10 0.00 0.00 179.97 180.89 3a20 s PHE 104 N -4.52 2.45 -0.13 4.08 0.40 -0.59 -4.87 117.98 114.80 3a20 s PHE 104 Ca -0.04 -0.21 0.28 0.00 -0.60 0.00 0.00 56.93 56.35 3a20 s PHE 104 Cb 0.15 -4.49 1.31 0.00 0.51 0.00 0.00 43.02 40.50 3a20 s PHE 104 CO 0.55 -1.88 1.83 0.87 0.70 0.00 0.00 175.22 177.29 3a20 h LYS 105 N 9.82 0.00 -0.00 0.44 1.79 -1.87 -1.77 116.57 124.98 3a20 h LYS 105 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3a20 h LYS 105 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 3a20 h LYS 105 CO 1.23 0.00 -0.14 -2.67 -1.08 0.00 0.00 179.45 176.80 3a20 n TRP 106 N -2.50 0.00 -2.49 -1.35 4.27 -1.26 -4.84 117.44 109.27 3a20 n TRP 106 Ca -0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 3a20 n TRP 106 Cb 0.15 -0.18 -0.02 0.00 -1.36 0.00 0.00 31.31 29.90 3a20 n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3a20 s ALA 107 N -2.50 3.61 -0.59 -1.67 0.00 -0.67 -4.49 121.76 115.46 3a20 s ALA 107 Ca 0.27 0.31 0.24 0.00 0.00 0.00 0.00 51.96 52.79 3a20 s ALA 107 Cb 0.20 -3.63 0.38 0.00 0.00 0.00 0.00 23.12 20.07 3a20 s ALA 107 CO 0.49 -1.26 1.39 0.07 0.00 0.00 0.00 175.76 176.45 3a20 h ARG 108 N 8.20 0.00 -2.67 0.00 0.11 -0.66 -3.48 114.38 115.88 3a20 h ARG 108 Ca -0.24 0.00 0.11 0.00 0.10 0.00 0.00 59.98 59.95 3a20 h ARG 108 Cb 1.09 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.15 3a20 h ARG 108 CO 0.99 0.00 0.49 0.00 0.10 0.00 0.00 179.97 181.55 3a20 s ALA 109 N -3.19 -1.35 -0.08 0.08 0.00 -1.15 -4.78 121.76 111.29 3a20 s ALA 109 Ca 0.06 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.61 3a20 s ALA 109 Cb 0.12 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.98 3a20 s ALA 109 CO 0.70 -1.04 -0.19 0.00 0.00 0.00 0.00 175.76 175.23 3a20 s ALA 110 N -2.24 1.81 -0.39 0.00 0.00 0.97 -1.02 121.76 120.88 3a20 s ALA 110 Ca 0.20 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 3a20 s ALA 110 Cb -0.03 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.40 3a20 s ALA 110 CO 0.07 0.23 0.47 -1.17 0.00 0.00 0.00 175.76 175.36 3a20 s LEU 111 N 0.42 4.63 -0.29 0.00 2.96 -0.05 -0.67 118.68 125.67 3a20 s LEU 111 Ca -0.16 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.25 3a20 s LEU 111 Cb -0.17 -2.46 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 3a20 s LEU 111 CO 0.07 -0.54 0.13 -0.69 -1.32 0.00 0.00 176.35 174.00 3a20 s VAL 112 N 2.26 4.56 -0.27 1.68 1.01 0.83 -0.66 120.40 129.80 3a20 s VAL 112 Ca 0.15 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 3a20 s VAL 112 Cb -0.16 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3a20 s VAL 112 CO 0.14 0.14 0.08 -0.63 0.00 0.00 0.00 175.10 174.83 3a20 s ILE 113 N 1.62 4.24 -0.43 2.22 -1.09 0.29 -1.47 121.20 126.58 3a20 s ILE 113 Ca 0.05 -0.35 -0.19 0.00 -2.23 0.00 0.00 60.65 57.93 3a20 s ILE 113 Cb -0.17 -3.05 0.02 0.00 -1.58 0.00 0.00 42.46 37.68 3a20 s ILE 113 CO 0.06 0.24 0.55 -0.89 -1.23 0.00 0.00 174.94 173.66 3a20 s THR 114 N 1.58 4.95 0.16 2.92 2.01 0.39 -0.64 115.64 127.01 3a20 s THR 114 Ca 0.05 -0.10 -0.31 0.00 0.31 0.00 0.00 61.69 61.64 3a20 s THR 114 Cb -0.16 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.14 3a20 s THR 114 CO 0.03 -0.52 1.33 -0.69 -0.69 0.00 0.00 174.62 174.09 3a20 s VAL 115 N 2.50 3.31 -0.15 3.82 1.01 0.47 -1.52 120.40 129.83 3a20 s VAL 115 Ca 0.18 1.01 0.10 0.00 0.00 0.00 0.00 61.98 63.27 3a20 s VAL 115 Cb -0.15 -3.65 -0.16 0.00 0.00 0.00 0.00 36.38 32.41 3a20 s VAL 115 CO 0.16 0.12 0.01 0.52 0.00 0.00 0.00 175.10 175.91 3a20 n VAL 116 N 3.20 0.99 -3.68 2.92 0.31 0.57 -4.93 118.33 117.71 3a20 n VAL 116 Ca 0.08 -0.57 -0.15 0.00 -0.01 0.00 0.00 64.34 63.70 3a20 n VAL 116 Cb 0.43 -0.72 -0.08 0.00 -0.91 0.00 0.00 33.84 32.56 3a20 n VAL 116 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3a20 s SER 117 N -4.95 -0.42 -0.11 4.52 1.04 -1.00 -5.01 113.70 107.77 3a20 s SER 117 Ca -0.10 0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.85 3a20 s SER 117 Cb 0.05 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.79 3a20 s SER 117 CO 0.55 -0.41 0.01 0.00 0.98 0.00 0.00 173.24 174.38 3a20 s ALA 118 N -0.81 0.76 -0.14 5.32 0.00 -1.26 -1.39 121.76 124.24 3a20 s ALA 118 Ca -0.09 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.62 3a20 s ALA 118 Cb -0.03 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.22 3a20 s ALA 118 CO 0.05 -0.68 -0.21 -2.00 0.00 0.00 0.00 175.76 172.92 3a20 s GLU 119 N 1.95 3.06 -0.42 0.00 2.12 -0.53 -4.98 118.70 119.90 3a20 s GLU 119 Ca 0.03 -0.84 -0.28 0.00 0.36 0.00 0.00 54.97 54.24 3a20 s GLU 119 Cb -0.14 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.84 3a20 s GLU 119 CO -0.06 0.02 1.07 -1.14 -0.54 0.00 0.00 175.26 174.61 3a20 s GLN 120 N 0.73 3.80 -0.03 4.30 0.74 -1.26 -1.02 119.66 126.92 3a20 s GLN 120 Ca -0.09 0.64 0.12 0.00 0.05 0.00 0.00 55.36 56.09 3a20 s GLN 120 Cb -0.16 -3.85 0.42 0.00 1.10 0.00 0.00 33.01 30.51 3a20 s GLN 120 CO 0.00 -1.19 1.31 0.25 -0.55 0.00 0.00 175.29 175.11 3a20 n THR 121 N 6.44 0.84 -1.72 -0.34 -2.24 -0.75 -4.99 114.28 111.52 3a20 n THR 121 Ca 0.11 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3a20 n THR 121 Cb 0.48 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 3a20 n THR 121 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67