#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u21 n PRO 11 N 0.00 0.10 -3.83 0.00 -0.04 -1.26 -4.67 135.00 125.30 1u21 n PRO 11 Ca 0.00 0.17 -0.18 0.00 -0.04 0.00 0.00 63.50 63.45 1u21 n PRO 11 Cb 0.00 -1.64 -0.17 0.00 -0.04 0.00 0.00 33.50 31.65 1u21 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1u21 s LEU 12 N -3.64 0.83 0.06 1.53 2.96 -1.26 -0.76 118.68 118.41 1u21 s LEU 12 Ca 0.10 -0.00 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1u21 s LEU 12 Cb 0.14 -0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.58 1u21 s LEU 12 CO 0.48 -0.15 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.90 1u21 s MET 13 N 1.44 0.80 -0.05 1.98 -2.45 0.15 -4.48 119.30 116.70 1u21 s MET 13 Ca -0.04 -0.87 0.06 0.00 -1.25 0.00 0.00 55.69 53.59 1u21 s MET 13 Cb -0.13 -0.78 -0.01 0.00 1.25 0.00 0.00 34.83 35.16 1u21 s MET 13 CO -0.03 0.18 -0.22 0.08 1.05 0.00 0.00 175.02 176.08 1u21 s VAL 14 N -1.17 1.82 -0.06 10.11 1.01 -0.93 -0.53 120.40 130.66 1u21 s VAL 14 Ca -0.02 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1u21 s VAL 14 Cb -0.09 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1u21 s VAL 14 CO 0.02 0.51 -0.08 -0.75 0.00 0.00 0.00 175.10 174.80 1u21 s LYS 15 N -0.13 1.24 -0.06 2.72 2.20 0.38 -0.39 119.74 125.70 1u21 s LYS 15 Ca -0.03 -0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.37 1u21 s LYS 15 Cb -0.13 -1.13 0.01 0.00 -1.51 0.00 0.00 37.83 35.08 1u21 s LYS 15 CO 0.03 -0.05 -0.13 0.08 -0.36 0.00 0.00 175.35 174.92 1u21 s VAL 16 N 0.87 1.15 0.15 4.02 1.01 0.68 -0.76 120.40 127.52 1u21 s VAL 16 Ca -0.11 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.47 1u21 s VAL 16 Cb -0.15 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1u21 s VAL 16 CO 0.01 0.35 -0.21 -0.76 0.00 0.00 0.00 175.10 174.49 1u21 s LEU 17 N 0.55 2.54 -0.31 3.92 1.43 0.12 -0.91 118.68 126.01 1u21 s LEU 17 Ca -0.12 -0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 52.23 1u21 s LEU 17 Cb -0.15 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1u21 s LEU 17 CO 0.03 0.16 0.06 -0.62 0.23 0.00 0.00 176.35 176.21 1u21 s ASP 18 N -2.33 5.09 0.02 2.29 3.68 0.15 -0.74 116.67 124.84 1u21 s ASP 18 Ca 0.18 -1.06 0.28 0.00 2.13 0.00 0.00 52.55 54.09 1u21 s ASP 18 Cb -0.10 -1.82 1.18 0.00 -1.45 0.00 0.00 42.92 40.74 1u21 s ASP 18 CO 0.09 -0.27 1.90 0.00 0.13 0.00 0.00 175.17 177.03 1u21 n ALA 19 N 4.77 2.31 -0.00 3.66 0.00 0.38 -0.90 120.51 130.73 1u21 n ALA 19 Ca -0.13 -0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 1u21 n ALA 19 Cb 0.45 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 1u21 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u21 h VAL 20 N 0.00 1.30 0.00 0.00 2.07 -1.95 -3.38 116.25 114.29 1u21 h VAL 20 Ca 0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1u21 h VAL 20 Cb 0.52 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1u21 h VAL 20 CO 0.00 0.65 -1.16 0.54 0.02 0.00 0.00 177.57 177.62 1u21 n ARG 21 N -4.14 0.20 -2.75 1.57 1.74 -1.23 -4.98 116.66 107.07 1u21 n ARG 21 Ca -0.20 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.75 1u21 n ARG 21 Cb 0.79 -1.53 0.05 0.00 -1.02 0.00 0.00 32.46 30.75 1u21 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u21 n GLY 22 N 1.42 -0.04 3.35 -0.13 0.00 -0.08 -5.03 105.19 104.68 1u21 n GLY 22 Ca 0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1u21 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u21 s SER 23 N -3.68 -0.02 0.50 1.61 1.04 -1.03 -5.01 113.70 107.11 1u21 s SER 23 Ca 0.04 -0.72 -0.23 0.00 0.48 0.00 0.00 55.95 55.51 1u21 s SER 23 Cb -0.00 0.45 -0.07 0.00 0.10 0.00 0.00 66.02 66.50 1u21 s SER 23 CO 0.41 -0.89 1.35 -0.81 0.98 0.00 0.00 173.24 174.28 1u21 n PRO 24 N -0.21 1.87 -2.91 4.02 -0.04 -1.26 0.30 135.00 136.77 1u21 n PRO 24 Ca -0.10 0.68 -0.43 0.00 -0.04 0.00 0.00 63.50 63.61 1u21 n PRO 24 Cb 0.63 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.49 1u21 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u21 s ALA 25 N -1.25 3.23 0.00 0.55 0.00 -0.09 -4.57 121.76 119.63 1u21 s ALA 25 Ca 0.67 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 1u21 s ALA 25 Cb -0.44 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.03 1u21 s ALA 25 CO 0.53 -2.16 0.33 0.42 0.00 0.00 0.00 175.76 174.88 1u21 s ILE 26 N 3.59 5.18 -1.22 0.00 1.01 -1.26 -4.26 121.20 124.23 1u21 s ILE 26 Ca 0.30 0.51 -0.02 0.00 0.00 0.00 0.00 60.65 61.44 1u21 s ILE 26 Cb -0.13 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1u21 s ILE 26 CO 0.21 0.48 0.22 -3.20 0.00 0.00 0.00 174.94 172.64 1u21 n ASN 27 N 1.50 -4.75 -4.69 3.58 5.15 -0.35 -4.92 115.26 110.76 1u21 n ASN 27 Ca -0.13 -0.11 -0.41 0.00 -0.60 0.00 0.00 54.58 53.33 1u21 n ASN 27 Cb 0.53 -3.75 -0.04 0.00 -0.53 0.00 0.00 39.78 35.99 1u21 n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1u21 s VAL 28 N -2.88 4.95 0.19 3.44 1.01 -1.26 -4.71 120.40 121.14 1u21 s VAL 28 Ca 0.11 1.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 1u21 s VAL 28 Cb -0.05 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 1u21 s VAL 28 CO 0.13 0.14 1.14 0.00 0.00 0.00 0.00 175.10 176.52 1u21 s ALA 29 N 1.43 3.40 -0.06 5.51 0.00 -1.26 -0.68 121.76 130.10 1u21 s ALA 29 Ca 0.40 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.26 1u21 s ALA 29 Cb -0.18 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1u21 s ALA 29 CO 0.17 -0.28 -0.10 0.08 0.00 0.00 0.00 175.76 175.63 1u21 s VAL 30 N -0.27 0.97 -0.07 0.00 1.01 -0.13 -0.82 120.40 121.10 1u21 s VAL 30 Ca 0.50 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1u21 s VAL 30 Cb -0.31 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1u21 s VAL 30 CO 0.37 0.32 -0.22 -1.00 0.00 0.00 0.00 175.10 174.56 1u21 s HIS 31 N 0.74 2.53 -0.05 5.22 3.76 -0.08 -1.50 115.29 125.90 1u21 s HIS 31 Ca -0.14 -0.66 0.02 0.00 -0.15 0.00 0.00 55.06 54.13 1u21 s HIS 31 Cb -0.15 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 1u21 s HIS 31 CO 0.03 -0.18 -0.09 0.08 -0.85 0.00 0.00 174.74 173.73 1u21 s VAL 32 N -0.14 3.49 0.08 -0.90 1.01 0.19 0.12 120.40 124.25 1u21 s VAL 32 Ca -0.04 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1u21 s VAL 32 Cb -0.14 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1u21 s VAL 32 CO 0.04 0.56 -0.12 -0.36 0.00 0.00 0.00 175.10 175.22 1u21 s PHE 33 N -0.82 1.12 -0.05 5.22 0.08 0.67 -0.99 117.98 123.20 1u21 s PHE 33 Ca 0.13 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.68 1u21 s PHE 33 Cb -0.11 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 1u21 s PHE 33 CO 0.02 0.03 -0.16 0.50 -0.10 0.00 0.00 175.22 175.51 1u21 s ARG 34 N -2.17 2.50 -0.05 0.44 3.52 -0.29 -0.99 118.95 121.90 1u21 s ARG 34 Ca 0.01 -0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 54.57 1u21 s ARG 34 Cb -0.07 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 1u21 s ARG 34 CO 0.01 0.58 1.36 0.21 -0.81 0.00 0.00 175.30 176.65 1u21 s LYS 35 N -0.63 4.28 0.76 5.12 2.20 -0.11 -1.17 119.74 130.19 1u21 s LYS 35 Ca 0.09 1.86 -0.11 0.00 -0.36 0.00 0.00 55.97 57.45 1u21 s LYS 35 Cb -0.11 -3.65 0.06 0.00 -1.51 0.00 0.00 37.83 32.62 1u21 s LYS 35 CO 0.01 -0.60 1.14 0.00 -0.36 0.00 0.00 175.35 175.53 1u21 s ALA 36 N 2.74 2.78 0.32 3.13 0.00 0.42 -4.77 121.76 126.37 1u21 s ALA 36 Ca 0.61 -0.56 0.36 0.00 0.00 0.00 0.00 51.96 52.37 1u21 s ALA 36 Cb -0.28 -2.95 1.71 0.00 0.00 0.00 0.00 23.12 21.59 1u21 s ALA 36 CO 0.23 -1.45 2.11 0.00 0.00 0.00 0.00 175.76 176.66 1u21 h ALA 37 N -0.87 1.03 -0.39 0.00 0.00 -1.96 -0.85 119.26 116.23 1u21 h ALA 37 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1u21 h ALA 37 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1u21 h ALA 37 CO 0.65 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 1u21 n ASP 38 N -3.15 3.22 0.00 0.00 5.75 -1.26 -4.92 116.55 116.18 1u21 n ASP 38 Ca -0.01 -2.32 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1u21 n ASP 38 Cb 0.23 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1u21 n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1u21 n ASP 39 N 0.55 -2.90 -4.96 -1.12 9.92 -0.32 -5.02 116.55 112.71 1u21 n ASP 39 Ca 0.16 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.19 1u21 n ASP 39 Cb 0.63 -1.21 0.02 0.00 -0.64 0.00 0.00 41.12 39.91 1u21 n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1u21 s THR 40 N -2.07 3.63 -0.38 -3.53 -4.23 -1.26 -4.84 115.64 102.97 1u21 s THR 40 Ca 0.00 -0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 59.83 1u21 s THR 40 Cb 0.00 -3.35 0.01 0.00 1.34 0.00 0.00 72.50 70.50 1u21 s THR 40 CO 0.00 -0.24 0.26 0.26 -0.54 0.00 0.00 174.62 174.36 1u21 s TRP 41 N -2.61 3.23 -0.12 3.99 0.52 -1.26 -0.43 118.94 122.25 1u21 s TRP 41 Ca 0.51 -0.51 -0.15 0.00 0.02 0.00 0.00 56.10 55.97 1u21 s TRP 41 Cb -0.10 -2.52 -0.05 0.00 -1.15 0.00 0.00 33.47 29.65 1u21 s TRP 41 CO 0.38 -0.51 0.35 -1.83 0.02 0.00 0.00 176.95 175.36 1u21 s GLU 42 N 1.67 4.19 0.39 4.98 -1.05 -0.32 -4.89 118.70 123.68 1u21 s GLU 42 Ca 0.05 0.23 -0.25 0.00 -0.15 0.00 0.00 54.97 54.84 1u21 s GLU 42 Cb -0.18 -3.39 -0.11 0.00 -0.44 0.00 0.00 34.13 30.01 1u21 s GLU 42 CO 0.10 0.31 1.06 -2.30 0.95 0.00 0.00 175.26 175.37 1u21 n PRO 43 N 3.27 1.48 0.00 -4.83 -0.02 -1.26 -1.14 135.00 132.50 1u21 n PRO 43 Ca -0.11 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1u21 n PRO 43 Cb 0.52 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1u21 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1u21 n PHE 44 N -0.28 0.00 -3.51 6.00 7.35 -0.17 -4.78 117.46 122.07 1u21 n PHE 44 Ca 0.09 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.69 1u21 n PHE 44 Cb 0.38 0.10 -0.02 0.00 0.35 0.00 0.00 39.48 40.29 1u21 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1u21 s ALA 45 N -1.44 -1.78 0.19 3.13 0.00 -1.05 -5.00 121.76 115.81 1u21 s ALA 45 Ca 0.00 0.87 -0.23 0.00 0.00 0.00 0.00 51.96 52.61 1u21 s ALA 45 Cb 0.00 0.49 0.05 0.00 0.00 0.00 0.00 23.12 23.67 1u21 s ALA 45 CO 0.00 -0.73 0.67 -1.54 0.00 0.00 0.00 175.76 174.17 1u21 s SER 46 N -2.55 -0.43 -0.02 0.00 1.04 -1.26 0.52 113.70 110.99 1u21 s SER 46 Ca 0.05 -0.23 -0.20 0.00 0.48 0.00 0.00 55.95 56.05 1u21 s SER 46 Cb -0.01 0.63 0.07 0.00 0.10 0.00 0.00 66.02 66.80 1u21 s SER 46 CO -0.09 -1.08 0.90 0.61 0.98 0.00 0.00 173.24 174.56 1u21 n GLY 47 N -0.40 0.32 3.34 7.32 0.00 -0.56 -5.01 105.19 110.20 1u21 n GLY 47 Ca -0.11 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1u21 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u21 s LYS 48 N -2.01 1.73 0.59 1.61 1.02 -1.26 -0.95 119.74 120.46 1u21 s LYS 48 Ca 0.21 -1.13 -0.18 0.00 0.02 0.00 0.00 55.97 54.89 1u21 s LYS 48 Cb -0.00 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 1u21 s LYS 48 CO -0.01 0.50 1.16 0.95 -0.92 0.00 0.00 175.35 177.03 1u21 s THR 49 N -0.84 2.90 0.68 2.17 -4.23 0.14 -4.75 115.64 111.71 1u21 s THR 49 Ca 0.12 0.53 -0.12 0.00 -1.18 0.00 0.00 61.69 61.05 1u21 s THR 49 Cb -0.10 -3.18 0.16 0.00 1.34 0.00 0.00 72.50 70.72 1u21 s THR 49 CO 0.03 -0.14 0.89 -1.54 -0.54 0.00 0.00 174.62 173.31 1u21 n SER 50 N -1.64 -0.07 0.28 3.99 3.41 -0.17 -1.22 113.62 118.21 1u21 n SER 50 Ca 0.12 -1.30 0.19 0.00 -0.26 0.00 0.00 58.87 57.62 1u21 n SER 50 Cb 0.50 -0.69 0.94 0.00 -0.26 0.00 0.00 64.21 64.71 1u21 n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1u21 h GLU 51 N 0.00 0.00 -0.63 4.33 4.11 -1.93 -0.01 114.58 120.45 1u21 h GLU 51 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1u21 h GLU 51 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1u21 h GLU 51 CO 0.20 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.15 1u21 n SER 52 N -2.89 3.42 -0.23 3.06 3.41 -1.26 -4.79 113.62 114.34 1u21 n SER 52 Ca -0.02 -2.03 -0.03 0.00 -0.26 0.00 0.00 58.87 56.54 1u21 n SER 52 Cb 0.13 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 63.64 1u21 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u21 n GLY 53 N 1.47 0.62 3.43 5.00 0.00 -0.02 -4.80 105.19 110.89 1u21 n GLY 53 Ca 0.21 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1u21 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u21 s GLU 54 N -1.84 1.66 -0.17 1.61 2.02 -1.26 -0.23 118.70 120.50 1u21 s GLU 54 Ca 0.00 -1.22 -0.00 0.00 0.02 0.00 0.00 54.97 53.77 1u21 s GLU 54 Cb 0.00 -2.02 0.04 0.00 0.10 0.00 0.00 34.13 32.25 1u21 s GLU 54 CO 0.00 0.48 -0.07 -1.17 0.02 0.00 0.00 175.26 174.52 1u21 s LEU 55 N -1.92 1.72 0.45 1.80 2.96 0.48 -1.00 118.68 123.16 1u21 s LEU 55 Ca 0.15 -0.66 0.07 0.00 -0.22 0.00 0.00 54.13 53.47 1u21 s LEU 55 Cb -0.10 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 1u21 s LEU 55 CO 0.07 -0.16 0.27 -1.00 -1.32 0.00 0.00 176.35 174.21 1u21 s HIS 56 N 1.58 2.37 -0.62 5.38 3.76 -1.26 -2.19 115.29 124.31 1u21 s HIS 56 Ca 0.01 -0.64 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1u21 s HIS 56 Cb -0.15 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.56 1u21 s HIS 56 CO -0.08 -0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.19 1u21 n GLY 57 N -1.43 0.82 0.22 -2.22 0.00 -1.26 -4.91 105.19 96.41 1u21 n GLY 57 Ca -0.01 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1u21 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1u21 h LEU 58 N 0.00 0.66 0.00 0.99 3.38 -1.87 -3.47 115.31 115.00 1u21 h LEU 58 Ca -0.12 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1u21 h LEU 58 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1u21 h LEU 58 CO 0.17 1.08 0.12 1.07 0.09 0.00 0.00 178.44 180.97 1u21 n THR 59 N -3.96 0.00 -4.40 0.22 5.66 -1.26 -4.78 114.28 105.75 1u21 n THR 59 Ca -0.03 -1.10 -0.20 0.00 -3.05 0.00 0.00 64.05 59.67 1u21 n THR 59 Cb 0.61 0.90 -0.10 0.00 -1.55 0.00 0.00 70.33 70.19 1u21 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1u21 s THR 60 N -2.40 1.79 0.37 1.09 -4.23 -1.26 -4.48 115.64 106.52 1u21 s THR 60 Ca 0.18 -2.20 0.11 0.00 -1.18 0.00 0.00 61.69 58.60 1u21 s THR 60 Cb -0.03 -2.26 0.11 0.00 1.34 0.00 0.00 72.50 71.66 1u21 s THR 60 CO 0.13 -0.44 1.85 1.05 -0.54 0.00 0.00 174.62 176.67 1u21 h GLU 61 N 2.39 0.12 -0.65 3.99 4.11 -1.97 -1.37 114.58 121.20 1u21 h GLU 61 Ca -0.39 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1u21 h GLU 61 Cb 1.23 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1u21 h GLU 61 CO 0.64 0.40 0.41 0.93 0.07 0.00 0.00 179.01 181.45 1u21 h GLU 62 N 0.11 0.87 0.00 1.06 5.08 -2.04 -3.22 114.58 116.43 1u21 h GLU 62 Ca 0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1u21 h GLU 62 Cb 0.56 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1u21 h GLU 62 CO 0.04 0.60 -1.09 -0.85 -1.00 0.00 0.00 179.01 176.71 1u21 n GLU 63 N -4.60 0.36 -1.81 2.33 0.28 -0.96 -4.49 120.64 111.75 1u21 n GLU 63 Ca 0.05 -0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.63 1u21 n GLU 63 Cb 0.04 -1.62 -0.00 0.00 1.43 0.00 0.00 31.44 31.29 1u21 n GLU 63 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1u21 n PHE 64 N -2.08 3.28 -2.09 -1.84 7.35 -0.55 -4.96 117.46 116.57 1u21 n PHE 64 Ca 0.01 -2.95 -0.28 0.00 -0.76 0.00 0.00 57.45 53.47 1u21 n PHE 64 Cb 0.46 -2.42 0.06 0.00 0.35 0.00 0.00 39.48 37.93 1u21 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1u21 s VAL 65 N 2.44 2.82 0.28 -2.13 -7.23 -1.26 -4.95 120.40 110.37 1u21 s VAL 65 Ca 0.48 0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 60.41 1u21 s VAL 65 Cb 0.14 -3.22 -0.13 0.00 0.56 0.00 0.00 36.38 33.72 1u21 s VAL 65 CO -0.07 -0.26 1.23 -0.62 -0.31 0.00 0.00 175.10 175.07 1u21 n GLU 66 N -2.97 1.80 -3.70 4.82 1.02 -1.26 -4.84 120.64 115.51 1u21 n GLU 66 Ca 0.07 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1u21 n GLU 66 Cb 0.59 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1u21 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u21 n GLY 67 N 1.40 -2.32 3.70 0.62 0.00 -1.14 -4.96 105.19 102.48 1u21 n GLY 67 Ca 0.09 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1u21 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u21 s ILE 68 N -2.07 5.12 0.14 -0.61 1.01 -1.26 -0.08 121.20 123.45 1u21 s ILE 68 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.83 1u21 s ILE 68 Cb 0.00 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1u21 s ILE 68 CO 0.00 0.47 -0.23 -0.31 0.00 0.00 0.00 174.94 174.87 1u21 s TYR 69 N 0.20 2.04 -0.09 3.97 1.51 0.00 -0.94 117.35 124.05 1u21 s TYR 69 Ca 0.07 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1u21 s TYR 69 Cb -0.12 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.67 1u21 s TYR 69 CO -0.00 0.32 -0.16 0.21 -1.11 0.00 0.00 175.55 174.81 1u21 s LYS 70 N -2.26 2.16 -0.25 -0.62 2.20 -0.16 -1.32 119.74 119.47 1u21 s LYS 70 Ca 0.13 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 55.12 1u21 s LYS 70 Cb -0.09 -1.75 -0.01 0.00 -1.51 0.00 0.00 37.83 34.47 1u21 s LYS 70 CO 0.06 0.03 0.04 0.08 -0.36 0.00 0.00 175.35 175.20 1u21 s VAL 71 N 0.70 3.91 -0.21 4.02 1.01 0.78 -0.24 120.40 130.37 1u21 s VAL 71 Ca -0.13 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1u21 s VAL 71 Cb -0.16 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1u21 s VAL 71 CO 0.03 0.30 0.02 -0.70 0.00 0.00 0.00 175.10 174.74 1u21 s GLU 72 N 1.54 3.64 -0.16 2.72 2.12 0.12 -0.52 118.70 128.15 1u21 s GLU 72 Ca 0.05 -0.51 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 1u21 s GLU 72 Cb -0.15 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 1u21 s GLU 72 CO 0.01 -0.02 -0.06 0.42 -0.54 0.00 0.00 175.26 175.07 1u21 s ILE 73 N 1.10 3.56 -1.23 -3.70 1.01 0.12 -0.91 121.20 121.15 1u21 s ILE 73 Ca 0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 1u21 s ILE 73 Cb -0.14 -2.55 0.19 0.00 0.01 0.00 0.00 42.46 39.96 1u21 s ILE 73 CO 0.02 0.49 1.65 0.47 0.00 0.00 0.00 174.94 177.57 1u21 n ASP 74 N 3.79 5.31 -0.09 3.58 8.00 0.00 -0.91 116.55 136.23 1u21 n ASP 74 Ca -0.18 -3.10 -0.11 0.00 0.71 0.00 0.00 54.79 52.12 1u21 n ASP 74 Cb 0.52 -1.48 0.03 0.00 -0.02 0.00 0.00 41.12 40.18 1u21 n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1u21 h THR 75 N 3.98 1.28 -0.55 -3.53 1.35 -1.86 -3.12 112.91 110.45 1u21 h THR 75 Ca 0.34 -1.52 0.03 0.00 -0.55 0.00 0.00 66.41 64.70 1u21 h THR 75 Cb 0.72 1.39 -0.04 0.00 -1.73 0.00 0.00 68.15 68.49 1u21 h THR 75 CO 1.44 0.50 0.33 0.50 -0.25 0.00 0.00 175.52 178.05 1u21 h LYS 76 N 0.67 0.64 -0.49 4.72 3.64 -1.71 -1.89 116.57 122.16 1u21 h LYS 76 Ca 0.06 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1u21 h LYS 76 Cb 0.91 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1u21 h LYS 76 CO 0.08 0.43 0.13 0.77 -2.27 0.00 0.00 179.45 178.59 1u21 h SER 77 N 0.66 0.68 0.21 4.20 0.02 -1.83 -1.11 113.55 116.39 1u21 h SER 77 Ca 0.22 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1u21 h SER 77 Cb 0.02 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1u21 h SER 77 CO -0.10 0.67 -0.10 0.22 -1.14 0.00 0.00 176.83 176.38 1u21 h TYR 78 N 0.72 -0.27 -0.50 3.45 3.20 -1.35 -0.74 116.97 121.47 1u21 h TYR 78 Ca 0.16 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1u21 h TYR 78 Cb 0.25 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1u21 h TYR 78 CO 0.01 -0.15 0.02 -1.49 -1.64 0.00 0.00 178.16 174.91 1u21 h TRP 79 N -0.31 0.95 -0.88 -3.82 4.06 -1.21 -2.69 115.95 112.06 1u21 h TRP 79 Ca -0.03 -0.16 0.09 0.00 2.06 0.00 0.00 58.89 60.86 1u21 h TRP 79 Cb 0.23 -0.25 -0.07 0.00 -1.00 0.00 0.00 29.16 28.07 1u21 h TRP 79 CO -0.06 0.88 0.52 0.87 -3.56 0.00 0.00 178.44 177.10 1u21 h LYS 80 N 0.74 0.85 -0.15 0.49 1.57 -1.01 -0.09 116.57 118.97 1u21 h LYS 80 Ca 0.14 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1u21 h LYS 80 Cb 0.49 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1u21 h LYS 80 CO 0.02 0.56 0.08 0.00 -0.57 0.00 0.00 179.45 179.55 1u21 h ALA 81 N 1.47 1.86 -0.01 3.86 0.00 -0.81 -2.31 119.26 123.32 1u21 h ALA 81 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1u21 h ALA 81 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1u21 h ALA 81 CO -0.24 0.12 -0.32 1.28 0.00 0.00 0.00 179.25 180.09 1u21 n LEU 82 N -4.50 1.00 -0.31 0.00 4.32 -0.17 -4.95 117.00 112.39 1u21 n LEU 82 Ca -0.01 -0.25 -0.03 0.00 -0.02 0.00 0.00 56.01 55.70 1u21 n LEU 82 Cb 0.09 -0.13 -0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1u21 n LEU 82 CO 0.35 0.19 -0.04 0.61 -1.22 0.00 0.00 177.39 177.29 1u21 n GLY 83 N 1.37 0.33 3.22 -0.72 0.00 -0.46 -5.05 105.19 103.88 1u21 n GLY 83 Ca 0.11 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 1u21 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u21 s ILE 84 N -2.14 1.98 -0.11 -0.61 1.01 -0.91 -5.03 121.20 115.40 1u21 s ILE 84 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.36 1u21 s ILE 84 Cb 0.00 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1u21 s ILE 84 CO 0.00 0.55 1.46 -0.44 0.00 0.00 0.00 174.94 176.51 1u21 s SER 85 N 0.18 6.80 0.36 3.58 0.01 -1.26 -3.96 113.70 119.41 1u21 s SER 85 Ca -0.13 1.97 0.04 0.00 1.31 0.00 0.00 55.95 59.14 1u21 s SER 85 Cb -0.16 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 1u21 s SER 85 CO 0.07 -0.84 0.52 -2.16 0.41 0.00 0.00 173.24 171.23 1u21 s PRO 86 N 3.77 3.14 -0.21 12.44 0.04 -1.26 -4.81 135.00 148.11 1u21 s PRO 86 Ca 0.64 -0.82 -0.17 0.00 0.04 0.00 0.00 61.00 60.70 1u21 s PRO 86 Cb -0.28 -2.75 -0.12 0.00 0.04 0.00 0.00 34.50 31.39 1u21 s PRO 86 CO 0.22 0.00 -0.06 0.34 0.04 0.00 0.00 177.00 177.54 1u21 n PHE 87 N -1.75 0.67 -2.87 0.56 7.35 0.11 -4.98 117.46 116.54 1u21 n PHE 87 Ca -0.01 0.29 -0.34 0.00 -0.76 0.00 0.00 57.45 56.63 1u21 n PHE 87 Cb 0.58 -0.94 -0.07 0.00 0.35 0.00 0.00 39.48 39.40 1u21 n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1u21 s HIS 88 N -2.43 3.42 0.17 -5.13 3.76 -1.26 -4.98 115.29 108.84 1u21 s HIS 88 Ca -0.28 1.58 -0.11 0.00 -0.15 0.00 0.00 55.06 56.10 1u21 s HIS 88 Cb 0.07 -2.81 0.05 0.00 1.11 0.00 0.00 32.58 31.00 1u21 s HIS 88 CO 0.46 0.01 1.64 0.93 -0.85 0.00 0.00 174.74 176.94 1u21 h GLU 89 N 2.30 0.98 -1.99 1.40 4.39 -1.98 -3.36 114.58 116.32 1u21 h GLU 89 Ca -0.48 -0.28 0.23 0.00 0.34 0.00 0.00 59.36 59.16 1u21 h GLU 89 Cb 1.18 -0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 29.63 1u21 h GLU 89 CO 0.63 0.95 0.62 -3.38 -1.16 0.00 0.00 179.01 176.66 1u21 s HIS 90 N -5.13 -0.11 -0.18 4.33 -3.43 -1.26 -3.40 115.29 106.11 1u21 s HIS 90 Ca -0.12 -0.11 -0.09 0.00 -0.80 0.00 0.00 55.06 53.94 1u21 s HIS 90 Cb 0.13 0.60 -0.05 0.00 -1.43 0.00 0.00 32.58 31.83 1u21 s HIS 90 CO 0.83 -0.60 0.13 0.00 -2.00 0.00 0.00 174.74 173.11 1u21 s ALA 91 N -2.94 3.72 -0.10 -1.38 0.00 -0.09 -4.89 121.76 116.08 1u21 s ALA 91 Ca 0.12 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1u21 s ALA 91 Cb 0.01 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 1u21 s ALA 91 CO -0.01 0.25 -0.12 -1.21 0.00 0.00 0.00 175.76 174.68 1u21 s GLU 92 N 0.09 3.12 -0.17 0.00 2.02 -1.26 0.12 118.70 122.62 1u21 s GLU 92 Ca 0.09 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.43 1u21 s GLU 92 Cb -0.11 -2.59 0.03 0.00 0.10 0.00 0.00 34.13 31.55 1u21 s GLU 92 CO -0.01 0.37 -0.13 0.08 0.02 0.00 0.00 175.26 175.60 1u21 s VAL 93 N -0.06 1.61 -0.11 2.63 1.01 0.32 -4.97 120.40 120.83 1u21 s VAL 93 Ca -0.02 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1u21 s VAL 93 Cb -0.14 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1u21 s VAL 93 CO 0.04 0.35 -0.19 -0.69 0.00 0.00 0.00 175.10 174.60 1u21 s VAL 94 N 1.45 1.79 0.12 2.92 1.01 -1.26 -0.15 120.40 126.28 1u21 s VAL 94 Ca 0.03 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1u21 s VAL 94 Cb -0.14 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.68 1u21 s VAL 94 CO -0.10 0.50 0.39 0.72 0.00 0.00 0.00 175.10 176.61 1u21 s PHE 95 N 0.76 -0.18 -0.14 5.22 -0.71 -0.44 -4.99 117.98 117.51 1u21 s PHE 95 Ca -0.10 -0.14 -0.13 0.00 -1.04 0.00 0.00 56.93 55.52 1u21 s PHE 95 Cb -0.16 0.23 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 1u21 s PHE 95 CO 0.01 -0.69 0.30 0.99 -1.34 0.00 0.00 175.22 174.49 1u21 s THR 96 N -3.77 5.29 -0.08 -4.49 2.01 -1.26 -0.82 115.64 112.52 1u21 s THR 96 Ca 0.03 0.56 -0.24 0.00 0.31 0.00 0.00 61.69 62.35 1u21 s THR 96 Cb 0.02 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1u21 s THR 96 CO -0.12 0.43 0.73 0.00 -0.69 0.00 0.00 174.62 174.97 1u21 s ALA 97 N 0.14 3.35 -0.12 7.40 0.00 0.88 -4.96 121.76 128.45 1u21 s ALA 97 Ca 0.17 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 1u21 s ALA 97 Cb -0.13 -3.01 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1u21 s ALA 97 CO 0.05 -0.19 -0.01 1.21 0.00 0.00 0.00 175.76 176.82 1u21 s ASN 98 N 0.87 2.20 0.40 0.00 3.04 -1.26 -2.90 114.94 117.28 1u21 s ASN 98 Ca 0.38 -0.39 0.08 0.00 0.04 0.00 0.00 52.86 52.97 1u21 s ASN 98 Cb -0.18 -0.62 0.83 0.00 -1.54 0.00 0.00 41.25 39.74 1u21 s ASN 98 CO 0.18 -0.21 2.01 0.44 -3.04 0.00 0.00 177.10 176.48 1u21 h ASP 99 N 8.25 0.40 -0.55 -4.21 3.32 -1.97 -3.03 116.42 118.62 1u21 h ASP 99 Ca -0.21 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 56.87 1u21 h ASP 99 Cb 1.12 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1u21 h ASP 99 CO 0.33 0.37 0.37 0.77 -1.72 0.00 0.00 179.24 179.35 1u21 h SER 100 N 0.44 0.41 -2.25 6.45 4.64 -2.04 -3.44 113.55 117.76 1u21 h SER 100 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1u21 h SER 100 Cb 0.09 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1u21 h SER 100 CO -0.01 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 1u21 n GLY 101 N -1.50 0.78 3.62 -0.77 0.00 -1.15 -5.07 105.19 101.11 1u21 n GLY 101 Ca 0.08 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 1u21 n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u21 n PRO 102 N -0.52 1.20 -0.59 1.61 -0.02 -1.26 -4.97 135.00 130.45 1u21 n PRO 102 Ca 0.00 0.44 0.02 0.00 -2.02 0.00 0.00 63.50 61.95 1u21 n PRO 102 Cb 0.00 -2.15 0.21 0.00 -0.02 0.00 0.00 33.50 31.54 1u21 n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1u21 n ARG 103 N -0.43 1.94 -3.91 -0.52 3.00 -0.67 -4.76 116.66 111.31 1u21 n ARG 103 Ca 0.11 -3.04 -0.21 0.00 -0.01 0.00 0.00 57.85 54.69 1u21 n ARG 103 Cb 0.43 -1.74 -0.17 0.00 0.00 0.00 0.00 32.46 30.98 1u21 n ARG 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1u21 s ARG 104 N -3.10 0.65 -0.20 5.56 6.06 -0.53 -4.64 118.95 122.75 1u21 s ARG 104 Ca 0.41 0.03 -0.01 0.00 -2.50 0.00 0.00 55.73 53.67 1u21 s ARG 104 Cb 0.37 -0.88 0.01 0.00 0.06 0.00 0.00 34.95 34.51 1u21 s ARG 104 CO 0.01 -0.21 -0.13 0.71 -2.50 0.00 0.00 175.30 173.18 1u21 s TYR 105 N 1.53 2.89 -0.26 5.12 1.51 0.06 -1.75 117.35 126.45 1u21 s TYR 105 Ca -0.02 -1.42 -0.07 0.00 -1.01 0.00 0.00 57.07 54.56 1u21 s TYR 105 Cb -0.13 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1u21 s TYR 105 CO -0.03 -0.71 0.06 0.99 -1.11 0.00 0.00 175.55 174.75 1u21 s THR 106 N 1.35 4.12 -0.39 -0.71 2.01 -0.24 -0.67 115.64 121.11 1u21 s THR 106 Ca 0.04 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 1u21 s THR 106 Cb -0.14 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.40 1u21 s THR 106 CO -0.09 0.27 0.39 -0.63 -0.69 0.00 0.00 174.62 173.87 1u21 s ILE 107 N 1.57 5.14 -0.04 1.82 -1.09 0.32 -0.91 121.20 128.00 1u21 s ILE 107 Ca 0.05 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 1u21 s ILE 107 Cb -0.16 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1u21 s ILE 107 CO 0.03 -0.28 -0.02 0.00 -1.23 0.00 0.00 174.94 173.44 1u21 s ALA 108 N 2.02 3.20 -0.02 9.38 0.00 -0.03 -0.47 121.76 135.84 1u21 s ALA 108 Ca 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1u21 s ALA 108 Cb -0.17 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.62 1u21 s ALA 108 CO 0.12 0.61 0.01 0.00 0.00 0.00 0.00 175.76 176.50 1u21 s ALA 109 N -0.95 0.20 -0.25 0.00 0.00 0.06 -1.17 121.76 119.65 1u21 s ALA 109 Ca 0.16 0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 1u21 s ALA 109 Cb -0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 1u21 s ALA 109 CO 0.05 -0.08 0.02 -1.17 0.00 0.00 0.00 175.76 174.58 1u21 s LEU 110 N 0.97 3.34 -0.13 0.00 2.96 -0.22 -0.70 118.68 124.89 1u21 s LEU 110 Ca -0.09 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.28 1u21 s LEU 110 Cb -0.13 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 1u21 s LEU 110 CO -0.02 -0.09 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.15 1u21 s LEU 111 N 1.50 3.42 0.24 -0.68 1.43 0.08 -1.54 118.68 123.14 1u21 s LEU 111 Ca 0.04 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1u21 s LEU 111 Cb -0.16 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1u21 s LEU 111 CO -0.00 0.24 -0.05 -0.44 0.23 0.00 0.00 176.35 176.33 1u21 s SER 112 N -0.07 2.30 0.28 2.29 0.01 0.38 -0.47 113.70 118.41 1u21 s SER 112 Ca 0.03 -1.17 -0.02 0.00 1.31 0.00 0.00 55.95 56.10 1u21 s SER 112 Cb -0.13 -0.08 0.44 0.00 0.21 0.00 0.00 66.02 66.46 1u21 s SER 112 CO 0.02 -0.40 1.91 -0.65 0.41 0.00 0.00 173.24 174.53 1u21 h PRO 113 N 2.42 1.11 -0.20 12.44 0.11 -1.99 -3.01 132.00 142.88 1u21 h PRO 113 Ca -0.39 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1u21 h PRO 113 Cb 1.22 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1u21 h PRO 113 CO 0.65 0.73 0.00 0.66 -0.21 0.00 0.00 178.00 179.84 1u21 n TYR 114 N -4.47 0.36 -3.59 0.65 4.02 -1.26 -0.71 117.16 112.15 1u21 n TYR 114 Ca 0.14 -0.61 -0.16 0.00 -0.01 0.00 0.00 57.90 57.26 1u21 n TYR 114 Cb 0.16 -0.09 -0.07 0.00 -0.02 0.00 0.00 39.34 39.32 1u21 n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1u21 s SER 115 N -1.33 -0.61 0.06 7.72 0.15 -1.14 -4.97 113.70 113.59 1u21 s SER 115 Ca 0.20 0.80 -0.08 0.00 0.70 0.00 0.00 55.95 57.57 1u21 s SER 115 Cb 0.13 0.73 -0.00 0.00 -1.71 0.00 0.00 66.02 65.17 1u21 s SER 115 CO 0.09 -0.49 0.17 -0.72 1.20 0.00 0.00 173.24 173.49 1u21 s TYR 116 N -0.80 0.15 0.10 3.44 -0.85 -1.26 -0.47 117.35 117.66 1u21 s TYR 116 Ca -0.08 -0.51 0.08 0.00 -0.52 0.00 0.00 57.07 56.04 1u21 s TYR 116 Cb -0.02 -0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.20 1u21 s TYR 116 CO 0.07 -0.48 -0.21 -1.54 -1.52 0.00 0.00 175.55 171.87 1u21 s SER 117 N -2.55 2.58 0.01 -0.18 1.04 -0.59 -4.98 113.70 109.04 1u21 s SER 117 Ca 0.01 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.77 1u21 s SER 117 Cb 0.03 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 1u21 s SER 117 CO -0.08 0.08 -0.03 0.28 0.98 0.00 0.00 173.24 174.46 1u21 s THR 118 N -1.11 0.20 -0.01 2.02 -1.32 -1.26 -1.06 115.64 113.10 1u21 s THR 118 Ca 0.07 -0.58 -0.04 0.00 -1.21 0.00 0.00 61.69 59.93 1u21 s THR 118 Cb -0.10 -0.26 -0.00 0.00 -1.51 0.00 0.00 72.50 70.63 1u21 s THR 118 CO 0.04 -0.25 0.08 -0.89 -2.21 0.00 0.00 174.62 171.39 1u21 s THR 119 N -0.84 0.06 -0.18 5.08 2.01 -0.32 -4.99 115.64 116.46 1u21 s THR 119 Ca -0.08 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 1u21 s THR 119 Cb -0.06 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1u21 s THR 119 CO -0.00 -0.27 -0.00 0.00 -0.69 0.00 0.00 174.62 173.65 1u21 s ALA 120 N -0.89 3.08 -0.31 7.40 0.00 -1.26 -0.85 121.76 128.93 1u21 s ALA 120 Ca -0.10 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 1u21 s ALA 120 Cb -0.06 -1.73 0.02 0.00 0.00 0.00 0.00 23.12 21.35 1u21 s ALA 120 CO 0.00 0.00 0.08 0.08 0.00 0.00 0.00 175.76 175.93 1u21 s VAL 121 N 0.73 3.85 -0.20 0.00 1.01 -0.09 -4.98 120.40 120.72 1u21 s VAL 121 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1u21 s VAL 121 Cb -0.14 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1u21 s VAL 121 CO 0.02 -0.01 -0.17 -0.69 0.00 0.00 0.00 175.10 174.25 1u21 s VAL 122 N 1.45 2.21 0.31 2.92 1.01 -1.26 -1.08 120.40 125.96 1u21 s VAL 122 Ca 0.01 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.00 1u21 s VAL 122 Cb -0.18 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1u21 s VAL 122 CO 0.02 0.42 0.19 0.42 0.00 0.00 0.00 175.10 176.16 1u21 s THR 123 N 1.27 0.21 -0.17 3.92 -4.23 -0.72 -4.90 115.64 111.03 1u21 s THR 123 Ca 0.03 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 1u21 s THR 123 Cb -0.14 -2.48 -0.23 0.00 1.34 0.00 0.00 72.50 70.99 1u21 s THR 123 CO -0.11 0.00 0.20 -3.20 -0.54 0.00 0.00 174.62 170.97 1u21 n ASN 124 N -1.12 2.05 -0.52 3.99 4.05 -1.26 -1.46 115.26 120.99 1u21 n ASN 124 Ca 0.03 0.20 0.14 0.00 0.45 0.00 0.00 54.58 55.39 1u21 n ASN 124 Cb 0.64 -0.81 0.49 0.00 1.23 0.00 0.00 39.78 41.33 1u21 n ASN 124 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40