#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz s GLU 2 N 0.00 0.03 0.04 2.12 -1.05 -1.26 -3.72 118.70 114.87 3huz s GLU 2 Ca 0.00 0.01 0.06 0.00 -0.15 0.00 0.00 54.97 54.89 3huz s GLU 2 Cb 0.00 0.01 -0.02 0.00 -0.44 0.00 0.00 34.13 33.68 3huz s GLU 2 CO 0.00 -0.01 -0.18 0.00 0.95 0.00 0.00 175.26 176.02 3huz s ALA 3 N -0.93 1.56 0.05 -0.84 0.00 0.05 -4.93 121.76 116.72 3huz s ALA 3 Ca 0.09 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 3huz s ALA 3 Cb -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3huz s ALA 3 CO -0.09 0.33 0.23 0.15 0.00 0.00 0.00 175.76 176.38 3huz s LYS 4 N -1.18 3.47 0.00 0.00 1.02 -1.26 -0.66 119.74 121.14 3huz s LYS 4 Ca 0.05 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 55.71 3huz s LYS 4 Cb -0.08 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 3huz s LYS 4 CO 0.02 0.61 0.00 0.00 -0.92 0.00 0.00 175.35 175.06 3huz n ALA 5 N 0.50 0.00 -2.64 5.17 0.00 0.22 -4.86 120.51 118.90 3huz n ALA 5 Ca -0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 3huz n ALA 5 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 3huz n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3huz n ILE 6 N -1.94-12.36 -4.48 0.00 5.41 -1.14 -4.84 119.36 100.00 3huz n ILE 6 Ca 0.00 2.56 -0.33 0.00 1.00 0.00 0.00 62.75 65.97 3huz n ILE 6 Cb 0.00 -6.47 -0.14 0.00 -0.71 0.00 0.00 39.64 32.32 3huz n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3huz s ALA 7 N -0.80 2.66 0.09 -1.39 0.00 0.52 -4.94 121.76 117.90 3huz s ALA 7 Ca -0.24 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 50.81 3huz s ALA 7 Cb 0.02 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 3huz s ALA 7 CO 0.77 0.02 -0.12 1.03 0.00 0.00 0.00 175.76 177.46 3huz s ARG 8 N 0.73 2.10 -1.56 0.00 1.81 -1.26 -0.36 118.95 120.41 3huz s ARG 8 Ca -0.05 -1.02 -0.15 0.00 -1.72 0.00 0.00 55.73 52.79 3huz s ARG 8 Cb -0.15 -2.28 0.11 0.00 -0.45 0.00 0.00 34.95 32.18 3huz s ARG 8 CO 0.02 0.51 0.85 0.66 -0.68 0.00 0.00 175.30 176.66 3huz n TYR 9 N 0.84 -2.03 -2.69 -0.53 0.53 -1.04 -4.90 117.16 107.34 3huz n TYR 9 Ca -0.14 0.80 -0.42 0.00 -1.02 0.00 0.00 57.90 57.12 3huz n TYR 9 Cb 0.52 -3.47 -0.03 0.00 -1.03 0.00 0.00 39.34 35.33 3huz n TYR 9 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3huz s VAL 10 N -3.23 4.15 -0.36 -0.72 1.01 -0.65 -4.80 120.40 115.79 3huz s VAL 10 Ca 0.66 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 3huz s VAL 10 Cb -0.34 -4.92 -0.10 0.00 0.00 0.00 0.00 36.38 31.01 3huz s VAL 10 CO 0.81 -1.76 1.42 -1.14 0.00 0.00 0.00 175.10 174.42 3huz n ARG 11 N 8.21 0.03 -3.64 2.72 0.00 -1.26 -2.40 116.66 120.32 3huz n ARG 11 Ca 0.22 -0.26 -0.08 0.00 -0.00 0.00 0.00 57.85 57.73 3huz n ARG 11 Cb 0.50 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.39 3huz n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3huz s ILE 12 N 2.90 0.00 0.23 5.15 2.07 -1.09 -4.98 121.20 125.49 3huz s ILE 12 Ca 0.39 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.32 3huz s ILE 12 Cb -0.17 -1.00 -0.11 0.00 0.13 0.00 0.00 42.46 41.31 3huz s ILE 12 CO 0.13 0.00 1.59 -0.55 -1.91 0.00 0.00 174.94 174.20 3huz s SER 13 N 0.21 6.48 0.05 4.50 0.15 -1.25 -3.34 113.70 120.50 3huz s SER 13 Ca 0.04 2.79 -0.26 0.00 0.70 0.00 0.00 55.95 59.22 3huz s SER 13 Cb -0.05 -2.61 -0.13 0.00 -1.71 0.00 0.00 66.02 61.51 3huz s SER 13 CO -0.08 -0.87 1.39 -0.65 1.20 0.00 0.00 173.24 174.23 3huz h PRO 14 N 5.85 -0.79 -0.74 5.44 0.11 -1.89 -2.45 132.00 137.52 3huz h PRO 14 Ca -0.45 0.05 0.26 0.00 0.11 0.00 0.00 66.00 65.98 3huz h PRO 14 Cb 1.21 0.18 -0.14 0.00 0.11 0.00 0.00 31.00 32.36 3huz h PRO 14 CO 0.86 -0.53 0.21 0.54 -0.21 0.00 0.00 178.00 178.88 3huz n ARG 15 N -4.55 -0.05 0.17 1.05 1.74 -1.26 0.14 116.66 113.90 3huz n ARG 15 Ca -0.10 1.06 0.03 0.00 -0.77 0.00 0.00 57.85 58.07 3huz n ARG 15 Cb 0.35 -1.80 0.30 0.00 -1.02 0.00 0.00 32.46 30.29 3huz n ARG 15 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3huz h LYS 16 N 0.00 0.00 0.00 5.56 1.57 -1.83 -3.14 116.57 118.73 3huz h LYS 16 Ca 0.54 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.28 3huz h LYS 16 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 3huz h LYS 16 CO -0.63 0.45 -1.57 1.33 -0.57 0.00 0.00 179.45 178.47 3huz n VAL 17 N -3.74 0.45 -0.17 0.50 0.24 0.37 -4.09 118.33 111.90 3huz n VAL 17 Ca -0.01 -0.56 0.10 0.00 -2.04 0.00 0.00 64.34 61.83 3huz n VAL 17 Cb 0.52 -0.24 0.42 0.00 -1.47 0.00 0.00 33.84 33.07 3huz n VAL 17 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3huz h ARG 18 N 0.00 0.58 -0.15 7.34 3.08 -0.43 0.85 114.38 125.65 3huz h ARG 18 Ca -0.05 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.77 3huz h ARG 18 Cb 1.13 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 31.06 3huz h ARG 18 CO 0.01 0.38 -0.66 -0.07 -1.07 0.00 0.00 179.97 178.56 3huz h LEU 19 N 0.60 0.84 0.80 3.04 -0.00 -1.71 -2.40 115.31 116.49 3huz h LEU 19 Ca 0.34 -0.62 -0.04 0.00 -0.00 0.00 0.00 57.88 57.56 3huz h LEU 19 Cb 0.52 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.93 3huz h LEU 19 CO -0.12 1.33 -0.47 0.58 -0.00 0.00 0.00 178.44 179.76 3huz h VAL 20 N 0.41 0.05 -0.40 1.22 2.07 -1.39 -3.01 116.25 115.21 3huz h VAL 20 Ca -0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3huz h VAL 20 Cb 1.29 0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 3huz h VAL 20 CO 0.14 0.00 -0.21 0.58 0.02 0.00 0.00 177.57 178.10 3huz h VAL 21 N -1.19 0.40 0.00 2.57 2.07 -0.96 0.19 116.25 119.33 3huz h VAL 21 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3huz h VAL 21 Cb 0.94 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3huz h VAL 21 CO 0.12 0.00 0.07 0.47 0.02 0.00 0.00 177.57 178.26 3huz n ASP 22 N -5.38 0.00 -1.31 0.57 10.43 -0.90 -0.57 116.55 119.39 3huz n ASP 22 Ca 0.02 0.14 0.08 0.00 2.57 0.00 0.00 54.79 57.60 3huz n ASP 22 Cb 0.29 -0.14 0.29 0.00 1.84 0.00 0.00 41.12 43.41 3huz n ASP 22 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3huz n LEU 23 N -1.03 3.84 -0.44 0.64 4.32 0.05 -4.11 117.00 120.27 3huz n LEU 23 Ca 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 56.01 54.06 3huz n LEU 23 Cb 0.07 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 3huz n LEU 23 CO 0.00 0.71 0.24 2.30 -1.22 0.00 0.00 177.39 179.42 3huz n ILE 24 N 0.99 0.00 -2.76 -0.08 -5.35 0.27 -4.94 119.36 107.49 3huz n ILE 24 Ca 0.21 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.26 3huz n ILE 24 Cb 0.70 0.32 -0.04 0.00 -1.74 0.00 0.00 39.64 38.89 3huz n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3huz s ARG 25 N 0.00 3.52 0.00 6.28 3.52 -1.24 -3.30 118.95 127.73 3huz s ARG 25 Ca 0.00 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 3huz s ARG 25 Cb 0.00 -3.96 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 3huz s ARG 25 CO 0.00 -1.36 0.00 0.41 -0.81 0.00 0.00 175.30 173.54 3huz n GLY 26 N 4.97 1.24 3.27 8.12 0.00 -0.70 -5.04 105.19 117.05 3huz n GLY 26 Ca 0.07 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 3huz n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz s LYS 27 N -2.26 1.09 0.32 1.61 1.02 -1.21 -4.81 119.74 115.50 3huz s LYS 27 Ca 0.00 -1.26 -0.29 0.00 0.02 0.00 0.00 55.97 54.45 3huz s LYS 27 Cb 0.00 -1.07 -0.13 0.00 -0.52 0.00 0.00 37.83 36.11 3huz s LYS 27 CO 0.00 0.22 1.29 -1.13 -0.92 0.00 0.00 175.35 174.81 3huz n SER 28 N 0.59 2.65 -0.35 2.83 3.41 -1.26 -0.30 113.62 121.18 3huz n SER 28 Ca -0.16 1.19 0.30 0.00 -0.26 0.00 0.00 58.87 59.94 3huz n SER 28 Cb 0.56 -1.46 0.62 0.00 -0.26 0.00 0.00 64.21 63.67 3huz n SER 28 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3huz h LEU 29 N 2.80 0.25 0.01 1.04 5.85 -1.84 0.15 115.31 123.57 3huz h LEU 29 Ca -0.45 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 3huz h LEU 29 Cb 1.29 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.34 3huz h LEU 29 CO 0.65 0.02 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.68 3huz h GLU 30 N 0.21 -0.01 -0.61 1.25 4.81 -1.89 -3.06 114.58 115.27 3huz h GLU 30 Ca 0.62 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.98 3huz h GLU 30 Cb 1.96 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 31.24 3huz h GLU 30 CO -0.20 0.83 -0.04 1.49 -0.73 0.00 0.00 179.01 180.36 3huz h GLU 31 N -0.91 0.08 -0.66 1.92 4.57 -1.36 0.57 114.58 118.78 3huz h GLU 31 Ca -0.00 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 3huz h GLU 31 Cb 0.85 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.38 3huz h GLU 31 CO 0.00 0.05 0.44 0.00 -1.18 0.00 0.00 179.01 178.32 3huz h ALA 32 N 1.57 1.81 0.00 2.92 0.00 -0.90 0.26 119.26 124.92 3huz h ALA 32 Ca 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3huz h ALA 32 Cb 0.50 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3huz h ALA 32 CO -0.55 0.08 -0.05 0.00 0.00 0.00 0.00 179.25 178.73 3huz h ARG 33 N 0.62 0.00 0.00 0.00 3.08 0.24 -2.94 114.38 115.39 3huz h ARG 33 Ca 0.29 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 3huz h ARG 33 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3huz h ARG 33 CO -0.09 0.05 -0.63 -0.91 -1.07 0.00 0.00 179.97 177.32 3huz h ASN 34 N 0.00 0.00 0.00 7.04 -0.26 -0.21 -1.53 115.58 120.62 3huz h ASN 34 Ca -0.00 -0.39 0.00 0.00 -0.56 0.00 0.00 56.30 55.35 3huz h ASN 34 Cb 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 3huz h ASN 34 CO 0.01 1.05 0.00 -0.38 -1.06 0.00 0.00 177.43 177.05 3huz n ILE 35 N -4.57 0.08 0.00 2.81 5.41 0.59 0.35 119.36 124.03 3huz n ILE 35 Ca -0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.59 3huz n ILE 35 Cb 0.43 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 3huz n ILE 35 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3huz n LEU 36 N 0.64 0.00 -0.19 1.39 4.77 -1.12 -4.68 117.00 117.82 3huz n LEU 36 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3huz n LEU 36 Cb 0.06 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.25 3huz n LEU 36 CO 0.00 0.00 0.96 -0.09 -1.33 0.00 0.00 177.39 176.93 3huz h ARG 37 N 0.00 0.33 -0.77 3.23 9.65 0.98 -3.01 114.38 124.80 3huz h ARG 37 Ca 0.00 -0.02 -0.55 0.00 -1.10 0.00 0.00 59.98 58.31 3huz h ARG 37 Cb 0.00 -0.07 -0.43 0.00 -1.39 0.00 0.00 29.97 28.08 3huz h ARG 37 CO 0.00 0.22 -0.82 0.66 2.80 0.00 0.00 179.97 182.83 3huz n TYR 38 N -5.05 2.76 -3.95 2.20 4.01 -0.82 -4.98 117.16 111.32 3huz n TYR 38 Ca 0.08 -2.24 -0.35 0.00 -0.16 0.00 0.00 57.90 55.22 3huz n TYR 38 Cb 0.28 -0.33 -0.13 0.00 -0.31 0.00 0.00 39.34 38.85 3huz n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3huz s THR 39 N -4.62 3.97 -0.81 -0.72 2.01 -1.14 -5.04 115.64 109.29 3huz s THR 39 Ca 0.51 -0.30 -0.23 0.00 0.31 0.00 0.00 61.69 61.98 3huz s THR 39 Cb 0.41 -2.82 0.07 0.00 0.01 0.00 0.00 72.50 70.17 3huz s THR 39 CO 0.03 0.40 1.17 0.21 -0.69 0.00 0.00 174.62 175.75 3huz s ASN 40 N 1.25 6.34 -0.29 3.53 2.47 -1.26 -4.69 114.94 122.29 3huz s ASN 40 Ca 0.04 -1.20 -0.23 0.00 0.42 0.00 0.00 52.86 51.89 3huz s ASN 40 Cb -0.15 -2.48 0.13 0.00 -1.45 0.00 0.00 41.25 37.31 3huz s ASN 40 CO 0.01 -1.46 1.06 -0.54 -3.72 0.00 0.00 177.10 172.45 3huz s LYS 41 N 4.34 0.43 0.17 0.43 -0.14 -1.26 -4.99 119.74 118.72 3huz s LYS 41 Ca 0.32 0.55 0.14 0.00 -1.36 0.00 0.00 55.97 55.63 3huz s LYS 41 Cb -0.09 0.19 0.70 0.00 -1.68 0.00 0.00 37.83 36.95 3huz s LYS 41 CO 0.03 -0.06 1.43 -2.13 -0.76 0.00 0.00 175.35 173.85 3huz n ARG 42 N 2.43 0.09 -0.06 1.68 0.63 -1.26 -1.65 116.66 118.52 3huz n ARG 42 Ca -0.13 0.53 -0.14 0.00 -0.92 0.00 0.00 57.85 57.18 3huz n ARG 42 Cb 0.56 -1.75 -0.06 0.00 0.45 0.00 0.00 32.46 31.66 3huz n ARG 42 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3huz h GLY 43 N 0.53 0.65 -0.93 5.14 0.00 -1.94 -3.26 103.07 103.26 3huz h GLY 43 Ca 0.00 -0.75 0.14 0.00 0.00 0.00 0.00 47.33 46.71 3huz h GLY 43 CO 0.00 0.68 -0.38 0.00 0.00 0.00 0.00 176.54 176.83 3huz n ALA 44 N -2.51 -0.16 -0.81 3.60 0.00 -0.66 -0.77 120.51 119.21 3huz n ALA 44 Ca -0.06 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.29 3huz n ALA 44 Cb 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3huz n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3huz n TYR 45 N -5.34 0.00 -0.22 0.00 9.36 -1.23 0.78 117.16 120.51 3huz n TYR 45 Ca 0.09 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.32 3huz n TYR 45 Cb 0.36 -0.10 0.11 0.00 -0.63 0.00 0.00 39.34 39.08 3huz n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3huz h PHE 46 N 0.00 -0.09 0.00 2.98 0.04 -1.65 0.54 116.94 118.76 3huz h PHE 46 Ca 0.00 0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3huz h PHE 46 Cb 0.00 0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 3huz h PHE 46 CO -0.10 -0.20 -0.14 0.28 -0.60 0.00 0.00 178.31 177.56 3huz h VAL 47 N 0.09 0.53 0.01 -0.55 2.07 -0.75 -2.67 116.25 114.98 3huz h VAL 47 Ca 0.34 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 3huz h VAL 47 Cb 0.55 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3huz h VAL 47 CO -0.57 0.13 -0.45 0.00 0.02 0.00 0.00 177.57 176.70 3huz h ALA 48 N 1.86 0.07 -1.10 1.67 0.00 0.33 -2.90 119.26 119.20 3huz h ALA 48 Ca -0.00 -0.73 0.31 0.00 0.00 0.00 0.00 54.91 54.49 3huz h ALA 48 Cb 0.41 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 3huz h ALA 48 CO 0.02 0.25 0.69 -0.22 0.00 0.00 0.00 179.25 179.99 3huz h LYS 49 N -0.93 0.32 0.06 0.00 3.64 0.06 -0.21 116.57 119.51 3huz h LYS 49 Ca -0.11 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 58.95 3huz h LYS 49 Cb 1.16 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 3huz h LYS 49 CO -0.04 0.21 -1.59 -0.24 -2.27 0.00 0.00 179.45 175.52 3huz h VAL 50 N 0.33 1.04 0.00 2.00 3.04 -1.58 -3.03 116.25 118.04 3huz h VAL 50 Ca 0.67 -2.79 0.00 0.00 -1.01 0.00 0.00 66.70 63.57 3huz h VAL 50 Cb 1.75 2.61 0.00 0.00 -2.01 0.00 0.00 31.29 33.64 3huz h VAL 50 CO -0.38 0.72 0.00 0.25 -1.01 0.00 0.00 177.57 177.15 3huz h LEU 51 N 0.03 0.00 0.00 3.16 7.12 -0.86 -0.91 115.31 123.86 3huz h LEU 51 Ca -0.25 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.76 3huz h LEU 51 Cb 1.98 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.11 3huz h LEU 51 CO 0.12 0.00 -0.11 -0.08 -0.13 0.00 0.00 178.44 178.24 3huz h GLU 52 N 0.00 0.00 0.00 1.25 4.57 -1.29 -3.28 114.58 115.82 3huz h GLU 52 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3huz h GLU 52 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3huz h GLU 52 CO 0.00 0.00 0.05 0.45 -1.18 0.00 0.00 179.01 178.33 3huz n SER 53 N -4.02 0.00 0.00 1.04 2.88 -1.08 -1.36 113.62 111.08 3huz n SER 53 Ca -0.02 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 3huz n SER 53 Cb 0.06 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 3huz n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3huz n ALA 54 N -1.23 -0.02 -0.31 -1.46 0.00 -0.37 -3.01 120.51 114.11 3huz n ALA 54 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3huz n ALA 54 Cb 0.05 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.68 3huz n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huz h ALA 55 N -2.00 0.82 -0.87 0.00 0.00 -1.47 0.24 119.26 115.98 3huz h ALA 55 Ca 0.00 0.32 0.16 0.00 0.00 0.00 0.00 54.91 55.38 3huz h ALA 55 Cb 0.00 0.58 -0.16 0.00 0.00 0.00 0.00 17.79 18.21 3huz h ALA 55 CO 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 179.25 178.50 3huz h ALA 56 N 1.87 0.34 0.39 0.00 0.00 -1.36 -0.18 119.26 120.32 3huz h ALA 56 Ca 0.48 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.66 3huz h ALA 56 Cb 0.84 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3huz h ALA 56 CO -0.85 -0.52 -0.19 -0.91 0.00 0.00 0.00 179.25 176.78 3huz h ASN 57 N -0.03 -0.45 -1.76 0.00 -0.26 -0.44 -3.10 115.58 109.55 3huz h ASN 57 Ca 0.37 0.02 0.51 0.00 -0.56 0.00 0.00 56.30 56.63 3huz h ASN 57 Cb 0.62 0.12 -0.07 0.00 -1.06 0.00 0.00 38.32 37.92 3huz h ASN 57 CO -0.90 -0.27 1.36 0.00 -1.06 0.00 0.00 177.43 176.56 3huz h ALA 58 N -1.66 3.67 -0.62 -0.83 0.00 -0.80 0.61 119.26 119.63 3huz h ALA 58 Ca -0.05 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.50 3huz h ALA 58 Cb 0.40 0.13 -0.17 0.00 0.00 0.00 0.00 17.79 18.15 3huz h ALA 58 CO 0.09 -2.27 0.23 1.55 0.00 0.00 0.00 179.25 178.85 3huz n VAL 59 N -3.81 2.82 0.02 0.00 3.14 -0.15 -1.68 118.33 118.67 3huz n VAL 59 Ca 0.39 -2.24 0.00 0.00 -2.96 0.00 0.00 64.34 59.53 3huz n VAL 59 Cb 1.89 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 34.30 3huz n VAL 59 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3huz n ASN 60 N -0.95 -0.02 0.14 6.55 5.03 0.18 -4.59 115.26 121.59 3huz n ASN 60 Ca 0.43 0.07 -0.24 0.00 0.87 0.00 0.00 54.58 55.71 3huz n ASN 60 Cb 1.30 0.06 -0.16 0.00 -1.02 0.00 0.00 39.78 39.96 3huz n ASN 60 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 3huz h ASN 61 N 0.00 0.79 -0.04 6.41 -0.26 -0.80 -3.36 115.58 118.32 3huz h ASN 61 Ca 0.00 -0.85 0.00 0.00 -0.56 0.00 0.00 56.30 54.89 3huz h ASN 61 Cb 0.02 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.02 3huz h ASN 61 CO 0.00 1.66 0.00 1.41 -1.06 0.00 0.00 177.43 179.44 3huz n HIS 62 N -3.69 0.16 -1.45 1.19 8.25 -1.09 -5.03 115.22 113.56 3huz n HIS 62 Ca -0.16 -0.97 -0.06 0.00 -0.26 0.00 0.00 57.72 56.28 3huz n HIS 62 Cb 1.10 -0.18 0.01 0.00 1.12 0.00 0.00 29.99 32.04 3huz n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3huz n ASP 63 N -1.26 -0.82 -0.00 0.41 5.75 -0.83 -4.83 116.55 114.97 3huz n ASP 63 Ca 0.17 -0.03 0.06 0.00 -0.01 0.00 0.00 54.79 54.97 3huz n ASP 63 Cb 0.67 -0.24 -0.08 0.00 -1.03 0.00 0.00 41.12 40.45 3huz n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3huz n MET 64 N -0.07 1.97 -1.61 0.11 2.81 -0.68 -4.96 117.12 114.69 3huz n MET 64 Ca -0.02 -0.05 -0.01 0.00 -1.81 0.00 0.00 57.70 55.82 3huz n MET 64 Cb 0.10 -1.15 -0.01 0.00 -0.71 0.00 0.00 33.22 31.46 3huz n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3huz n LEU 65 N -1.55 -3.02 0.00 4.03 0.00 -1.26 -4.78 117.00 110.42 3huz n LEU 65 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 56.01 56.60 3huz n LEU 65 Cb 0.23 -1.54 0.00 0.00 0.00 0.00 0.00 43.42 42.12 3huz n LEU 65 CO 0.24 -0.87 0.21 -0.62 0.00 0.00 0.00 177.39 176.35 3huz n GLU 66 N 0.41 0.00 0.00 1.96 1.02 -1.26 -2.79 120.64 119.99 3huz n GLU 66 Ca -0.07 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 3huz n GLU 66 Cb 0.11 -0.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 3huz n GLU 66 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3huz n ASP 67 N -0.89 0.00 -0.05 1.62 8.00 -1.26 1.00 116.55 124.96 3huz n ASP 67 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 3huz n ASP 67 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3huz n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3huz n ARG 68 N -0.39 1.02 -0.85 -1.24 5.12 -1.12 -4.99 116.66 114.20 3huz n ARG 68 Ca 0.00 0.04 -0.30 0.00 -1.93 0.00 0.00 57.85 55.67 3huz n ARG 68 Cb 0.03 -1.22 0.03 0.00 -1.16 0.00 0.00 32.46 30.13 3huz n ARG 68 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3huz n LEU 69 N -2.67 -4.40 -3.80 0.55 4.77 0.28 -2.07 117.00 109.67 3huz n LEU 69 Ca -0.18 0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 56.00 3huz n LEU 69 Cb 0.74 -0.63 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3huz n LEU 69 CO 0.14 -4.62 0.74 -0.72 -1.33 0.00 0.00 177.39 171.60 3huz s TYR 70 N -1.61 -0.05 -1.03 -1.77 -0.00 -1.05 -3.09 117.35 108.75 3huz s TYR 70 Ca 0.36 -0.30 -0.19 0.00 -0.00 0.00 0.00 57.07 56.93 3huz s TYR 70 Cb -0.21 0.67 0.11 0.00 -0.00 0.00 0.00 41.96 42.53 3huz s TYR 70 CO 0.63 -0.89 1.31 0.08 -0.00 0.00 0.00 175.55 176.68 3huz s VAL 71 N -2.88 4.51 0.13 -3.49 1.01 0.58 -2.85 120.40 117.41 3huz s VAL 71 Ca 0.15 -1.56 -0.33 0.00 0.00 0.00 0.00 61.98 60.25 3huz s VAL 71 Cb -0.02 -4.91 -0.11 0.00 0.00 0.00 0.00 36.38 31.34 3huz s VAL 71 CO 0.04 -1.69 1.55 0.50 0.00 0.00 0.00 175.10 175.50 3huz h LYS 72 N 8.72 -0.46 -1.94 2.72 1.63 -1.50 -1.85 116.57 123.89 3huz h LYS 72 Ca 0.22 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 60.10 3huz h LYS 72 Cb 0.98 0.10 -0.19 0.00 -0.60 0.00 0.00 32.23 32.53 3huz h LYS 72 CO 1.24 -0.31 0.43 0.00 -3.45 0.00 0.00 179.45 177.37 3huz s ALA 73 N -5.69 -1.85 -0.29 5.00 0.00 -0.90 -4.63 121.76 113.41 3huz s ALA 73 Ca -0.15 1.31 0.03 0.00 0.00 0.00 0.00 51.96 53.15 3huz s ALA 73 Cb 0.08 -0.15 0.17 0.00 0.00 0.00 0.00 23.12 23.22 3huz s ALA 73 CO 0.62 -0.45 0.48 0.00 0.00 0.00 0.00 175.76 176.40 3huz s ALA 74 N -1.84 -1.64 0.16 0.00 0.00 -1.26 -0.78 121.76 116.40 3huz s ALA 74 Ca -0.02 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.60 3huz s ALA 74 Cb -0.01 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 3huz s ALA 74 CO -0.00 -1.72 0.28 1.52 0.00 0.00 0.00 175.76 175.84 3huz s TYR 75 N 2.65 3.46 -0.00 0.00 1.13 -1.21 -4.84 117.35 118.53 3huz s TYR 75 Ca 0.11 0.09 0.08 0.00 -1.41 0.00 0.00 57.07 55.93 3huz s TYR 75 Cb -0.12 -1.64 -0.02 0.00 -1.10 0.00 0.00 41.96 39.08 3huz s TYR 75 CO -0.27 0.51 -0.25 0.54 -2.51 0.00 0.00 175.55 173.56 3huz s VAL 76 N -1.78 1.99 0.04 -3.49 0.11 -1.26 -2.25 120.40 113.76 3huz s VAL 76 Ca 0.34 -1.13 0.04 0.00 -2.93 0.00 0.00 61.98 58.30 3huz s VAL 76 Cb -0.11 -1.67 -0.02 0.00 -1.53 0.00 0.00 36.38 33.06 3huz s VAL 76 CO 0.28 0.51 -0.12 -1.81 -3.33 0.00 0.00 175.10 170.63 3huz s ASP 77 N -0.73 1.37 -0.40 3.54 1.01 -1.04 -4.98 116.67 115.43 3huz s ASP 77 Ca 0.10 -0.47 -0.29 0.00 0.71 0.00 0.00 52.55 52.60 3huz s ASP 77 Cb -0.10 -0.06 0.02 0.00 1.01 0.00 0.00 42.92 43.79 3huz s ASP 77 CO -0.00 -0.04 1.22 -0.70 0.21 0.00 0.00 175.17 175.85 3huz s GLU 78 N -1.26 3.78 0.91 8.23 2.12 -1.26 0.32 118.70 131.54 3huz s GLU 78 Ca -0.02 0.86 -0.13 0.00 0.36 0.00 0.00 54.97 56.04 3huz s GLU 78 Cb -0.08 -3.90 0.14 0.00 0.26 0.00 0.00 34.13 30.54 3huz s GLU 78 CO 0.01 -1.30 1.15 0.20 -0.54 0.00 0.00 175.26 174.79 3huz s GLY 79 N 2.71 1.59 0.36 -1.50 0.00 -0.87 -4.90 107.32 104.70 3huz s GLY 79 Ca 0.52 -0.59 -0.28 0.00 0.00 0.00 0.00 44.72 44.36 3huz s GLY 79 CO 0.28 -0.03 1.52 2.56 0.00 0.00 0.00 173.10 177.43 3huz s PRO 80 N -5.37 4.10 0.34 2.90 0.04 -1.26 -4.10 135.00 131.65 3huz s PRO 80 Ca 0.64 2.59 -0.08 0.00 0.04 0.00 0.00 61.00 64.19 3huz s PRO 80 Cb -0.13 -2.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.37 3huz s PRO 80 CO 0.53 -0.57 0.65 0.00 0.04 0.00 0.00 177.00 177.65 3huz s ALA 81 N -0.84 3.49 -0.42 8.56 0.00 -1.26 -4.15 121.76 127.13 3huz s ALA 81 Ca 0.55 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 3huz s ALA 81 Cb -0.47 -2.50 0.03 0.00 0.00 0.00 0.00 23.12 20.18 3huz s ALA 81 CO 0.60 0.15 0.32 -0.51 0.00 0.00 0.00 175.76 176.32 3huz s LEU 82 N -3.63 5.17 -0.14 0.00 1.43 0.59 -4.91 118.68 117.19 3huz s LEU 82 Ca 0.48 -0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 3huz s LEU 82 Cb -0.11 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 3huz s LEU 82 CO 0.30 -0.49 1.19 -0.54 0.23 0.00 0.00 176.35 177.04 3huz s LYS 83 N 1.70 4.28 0.30 1.70 1.02 -1.26 -1.27 119.74 126.22 3huz s LYS 83 Ca 0.05 1.59 0.10 0.00 0.02 0.00 0.00 55.97 57.73 3huz s LYS 83 Cb -0.20 -3.67 -0.06 0.00 -0.52 0.00 0.00 37.83 33.39 3huz s LYS 83 CO 0.10 -0.60 -0.14 1.03 -0.92 0.00 0.00 175.35 174.82 3huz s ARG 84 N 3.00 1.70 0.13 1.68 1.81 0.32 -4.91 118.95 122.68 3huz s ARG 84 Ca 0.53 -1.82 -0.11 0.00 -1.72 0.00 0.00 55.73 52.60 3huz s ARG 84 Cb -0.21 -1.64 -0.06 0.00 -0.45 0.00 0.00 34.95 32.59 3huz s ARG 84 CO 0.15 0.22 0.48 0.08 -0.68 0.00 0.00 175.30 175.55 3huz s VAL 85 N -2.63 4.98 -0.35 3.52 1.01 -1.26 0.20 120.40 125.86 3huz s VAL 85 Ca 0.30 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3huz s VAL 85 Cb -0.01 -3.68 0.14 0.00 0.00 0.00 0.00 36.38 32.83 3huz s VAL 85 CO 0.15 0.20 0.21 -0.22 0.00 0.00 0.00 175.10 175.44 3huz s LEU 86 N -2.10 1.04 0.20 3.92 2.96 -0.10 -4.72 118.68 119.87 3huz s LEU 86 Ca 0.37 -2.20 -0.32 0.00 -0.22 0.00 0.00 54.13 51.77 3huz s LEU 86 Cb -0.14 -0.42 -0.11 0.00 0.50 0.00 0.00 46.19 46.02 3huz s LEU 86 CO 0.19 -0.31 1.65 -2.16 -1.32 0.00 0.00 176.35 174.40 3huz s PRO 87 N 1.05 4.16 0.52 0.98 0.04 -1.26 -0.08 135.00 140.41 3huz s PRO 87 Ca 0.18 2.50 0.04 0.00 0.04 0.00 0.00 61.00 63.76 3huz s PRO 87 Cb -0.23 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.22 3huz s PRO 87 CO 0.01 -0.68 0.24 1.03 0.04 0.00 0.00 177.00 177.64 3huz s ARG 88 N 1.04 2.23 0.72 4.56 1.81 -1.26 -4.79 118.95 123.26 3huz s ARG 88 Ca 0.72 -2.14 -0.16 0.00 -1.72 0.00 0.00 55.73 52.43 3huz s ARG 88 Cb -0.47 -1.89 0.02 0.00 -0.45 0.00 0.00 34.95 32.16 3huz s ARG 88 CO 0.33 -0.49 1.11 0.00 -0.68 0.00 0.00 175.30 175.57 3huz n ALA 89 N -1.54 0.19 -2.00 2.13 0.00 -1.26 -2.99 120.51 115.04 3huz n ALA 89 Ca -0.08 -0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.02 3huz n ALA 89 Cb 0.65 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 3huz n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3huz n ARG 90 N -2.19 -1.31 -1.54 0.00 5.12 -1.26 -2.42 116.66 113.05 3huz n ARG 90 Ca 0.14 0.95 -0.15 0.00 -1.93 0.00 0.00 57.85 56.86 3huz n ARG 90 Cb 0.49 -5.32 -0.06 0.00 -1.16 0.00 0.00 32.46 26.42 3huz n ARG 90 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3huz n GLY 91 N -0.95 1.30 0.29 -0.13 0.00 -1.16 -4.89 105.19 99.65 3huz n GLY 91 Ca -0.19 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 45.54 3huz n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3huz h ARG 92 N 0.00 0.50 -5.54 1.61 3.08 -1.44 -3.47 114.38 109.12 3huz h ARG 92 Ca -0.31 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3huz h ARG 92 Cb 1.01 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3huz h ARG 92 CO 0.44 0.41 -0.02 0.00 -1.07 0.00 0.00 179.97 179.74 3huz n ALA 93 N -2.48 -1.02 -2.60 0.04 0.00 -1.26 -4.79 120.51 108.41 3huz n ALA 93 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 3huz n ALA 93 Cb 0.13 -0.45 0.05 0.00 0.00 0.00 0.00 19.45 19.18 3huz n ALA 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3huz n ASP 94 N 2.36 0.74 -4.07 0.00 10.43 0.88 -4.86 116.55 122.04 3huz n ASP 94 Ca 0.00 -1.59 -0.25 0.00 2.57 0.00 0.00 54.79 55.53 3huz n ASP 94 Cb 0.01 -0.27 -0.16 0.00 1.84 0.00 0.00 41.12 42.54 3huz n ASP 94 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 3huz s ILE 95 N -1.10 1.22 -0.13 0.53 -5.25 -1.25 -0.93 121.20 114.28 3huz s ILE 95 Ca 0.30 -0.56 -0.03 0.00 -0.99 0.00 0.00 60.65 59.36 3huz s ILE 95 Cb -0.02 -1.08 -0.03 0.00 2.95 0.00 0.00 42.46 44.28 3huz s ILE 95 CO 0.20 0.37 -0.01 -0.51 -1.79 0.00 0.00 174.94 173.19 3huz s ILE 96 N 0.37 4.14 -0.74 8.37 1.10 0.53 -4.86 121.20 130.11 3huz s ILE 96 Ca -0.09 -0.28 -0.21 0.00 -0.51 0.00 0.00 60.65 59.55 3huz s ILE 96 Cb -0.13 -2.79 0.09 0.00 0.15 0.00 0.00 42.46 39.78 3huz s ILE 96 CO 0.03 0.53 1.00 -0.54 -2.11 0.00 0.00 174.94 173.85 3huz s LYS 97 N -0.11 3.25 -1.06 3.50 -0.14 -1.26 -0.52 119.74 123.39 3huz s LYS 97 Ca 0.03 -1.13 -0.21 0.00 -1.36 0.00 0.00 55.97 53.30 3huz s LYS 97 Cb -0.13 -4.45 0.07 0.00 -1.68 0.00 0.00 37.83 31.64 3huz s LYS 97 CO 0.02 -1.80 1.45 0.15 -0.76 0.00 0.00 175.35 174.42 3huz s LYS 98 N 3.61 3.68 0.58 1.68 -0.14 -0.39 -4.88 119.74 123.88 3huz s LYS 98 Ca 0.25 -1.43 -0.17 0.00 -1.36 0.00 0.00 55.97 53.26 3huz s LYS 98 Cb -0.14 -5.32 -0.04 0.00 -1.68 0.00 0.00 37.83 30.66 3huz s LYS 98 CO 0.04 -2.14 1.09 1.03 -0.76 0.00 0.00 175.35 174.61 3huz s ARG 99 N 4.38 3.25 0.30 1.68 0.52 -1.26 -0.30 118.95 127.52 3huz s ARG 99 Ca 0.45 1.41 0.06 0.00 -0.52 0.00 0.00 55.73 57.13 3huz s ARG 99 Cb -0.00 -2.01 -0.06 0.00 0.52 0.00 0.00 34.95 33.40 3huz s ARG 99 CO -0.06 -0.89 -0.03 -0.08 0.02 0.00 0.00 175.30 174.25 3huz s THR 100 N -2.14 1.63 0.16 0.02 -1.32 -1.26 -2.66 115.64 110.07 3huz s THR 100 Ca 0.68 -2.09 0.01 0.00 -1.21 0.00 0.00 61.69 59.07 3huz s THR 100 Cb -0.20 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.17 3huz s THR 100 CO 0.33 -0.21 0.02 -0.44 -2.21 0.00 0.00 174.62 172.11 3huz s SER 101 N -3.49 0.91 -0.45 8.08 0.01 -1.01 -2.06 113.70 115.70 3huz s SER 101 Ca 0.32 -1.19 0.02 0.00 1.31 0.00 0.00 55.95 56.41 3huz s SER 101 Cb 0.05 0.18 0.14 0.00 0.21 0.00 0.00 66.02 66.60 3huz s SER 101 CO 0.13 -0.63 0.25 -1.00 0.41 0.00 0.00 173.24 172.41 3huz s HIS 102 N -3.79 1.99 -0.09 2.43 3.76 0.15 -1.63 115.29 118.10 3huz s HIS 102 Ca 0.24 -2.44 -0.30 0.00 -0.15 0.00 0.00 55.06 52.41 3huz s HIS 102 Cb 0.07 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 3huz s HIS 102 CO 0.03 -0.78 1.12 0.42 -0.85 0.00 0.00 174.74 174.69 3huz s ILE 103 N 0.28 4.48 -0.04 0.60 -1.09 0.52 -2.48 121.20 123.47 3huz s ILE 103 Ca 0.19 1.78 0.06 0.00 -2.23 0.00 0.00 60.65 60.45 3huz s ILE 103 Cb -0.22 -4.14 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 3huz s ILE 103 CO -0.01 -0.01 -0.23 -0.89 -1.23 0.00 0.00 174.94 172.57 3huz s THR 104 N 2.24 2.31 -0.20 2.92 2.01 -0.95 0.19 115.64 124.16 3huz s THR 104 Ca 0.52 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 3huz s THR 104 Cb -0.22 -1.84 0.06 0.00 0.01 0.00 0.00 72.50 70.52 3huz s THR 104 CO 0.19 0.58 0.02 -0.69 -0.69 0.00 0.00 174.62 174.03 3huz s VAL 105 N -0.51 0.67 -0.30 3.82 1.01 -1.26 -3.35 120.40 120.48 3huz s VAL 105 Ca 0.07 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 3huz s VAL 105 Cb -0.11 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3huz s VAL 105 CO 0.01 -0.20 0.16 0.27 0.00 0.00 0.00 175.10 175.34 3huz s ILE 106 N 1.79 4.84 -0.06 2.22 -4.36 0.04 0.70 121.20 126.37 3huz s ILE 106 Ca -0.02 -0.20 0.02 0.00 -0.26 0.00 0.00 60.65 60.19 3huz s ILE 106 Cb -0.17 -3.40 -0.03 0.00 1.25 0.00 0.00 42.46 40.11 3huz s ILE 106 CO -0.08 0.14 -0.09 -0.76 0.24 0.00 0.00 174.94 174.39 3huz s LEU 107 N 1.67 3.02 0.00 0.37 1.02 0.17 -1.21 118.68 123.72 3huz s LEU 107 Ca 0.06 -0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.15 3huz s LEU 107 Cb -0.17 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 3huz s LEU 107 CO 0.08 0.35 0.11 0.61 0.02 0.00 0.00 176.35 177.52 3huz n GLY 108 N 2.21 3.43 3.78 -3.19 0.00 -1.13 -0.77 105.19 109.52 3huz n GLY 108 Ca -0.18 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.38 3huz n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3huz s GLU 109 N -3.25 4.59 0.00 1.61 0.41 -1.24 -2.52 118.70 118.29 3huz s GLU 109 Ca 0.15 1.28 0.00 0.00 -0.41 0.00 0.00 54.97 55.99 3huz s GLU 109 Cb 0.01 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 3huz s GLU 109 CO 0.11 0.36 0.03 1.17 -0.49 0.00 0.00 175.26 176.44 3huz n LYS 110 N 0.83 0.00 0.00 1.61 3.00 -0.88 -4.87 118.16 117.85 3huz n LYS 110 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 3huz n LYS 110 Cb 0.50 -0.53 0.00 0.00 0.00 0.00 0.00 35.03 35.00 3huz n LYS 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3huz n HIS 111 N -0.04 0.00 0.00 5.64 1.44 -1.26 -5.05 115.22 115.95 3huz n HIS 111 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3huz n HIS 111 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3huz n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3huz n GLY 112 N -0.05 0.54 0.00 -1.39 0.00 -1.26 -5.18 105.19 97.85 3huz n GLY 112 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3huz n GLY 112 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90