#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz s VAL 4 N 0.00 0.98 -0.08 3.15 0.11 -1.26 -4.01 120.40 119.29 3huz s VAL 4 Ca 0.00 -0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 58.25 3huz s VAL 4 Cb 0.00 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 3huz s VAL 4 CO 0.00 0.29 1.51 0.00 -3.33 0.00 0.00 175.10 173.57 3huz h GLU 6 N 8.92 0.59 0.00 0.00 5.08 -1.84 0.84 114.58 128.17 3huz h GLU 6 Ca -0.35 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3huz h GLU 6 Cb 1.16 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3huz h GLU 6 CO 0.95 0.39 0.00 -0.89 -1.00 0.00 0.00 179.01 178.46 3huz n ILE 7 N -4.88 0.00 -0.25 3.13 2.08 -1.26 -4.41 119.36 113.77 3huz n ILE 7 Ca 0.16 0.20 0.24 0.00 0.56 0.00 0.00 62.75 63.91 3huz n ILE 7 Cb 0.41 -0.60 0.59 0.00 -0.75 0.00 0.00 39.64 39.29 3huz n ILE 7 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 3huz h SER 8 N 0.00 0.27 0.00 4.38 4.64 -1.98 -3.45 113.55 117.41 3huz h SER 8 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3huz h SER 8 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3huz h SER 8 CO 0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3huz n GLY 9 N -1.58 0.57 3.77 -0.77 0.00 0.29 -5.01 105.19 102.45 3huz n GLY 9 Ca 0.21 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 3huz n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz s LYS 10 N -1.25 4.36 0.03 1.61 1.02 -1.26 -4.72 119.74 119.54 3huz s LYS 10 Ca 0.00 2.20 -0.00 0.00 0.02 0.00 0.00 55.97 58.18 3huz s LYS 10 Cb 0.00 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 3huz s LYS 10 CO 0.00 -0.18 -0.03 -0.98 -0.92 0.00 0.00 175.35 173.24 3huz s ARG 11 N -1.64 0.45 -0.05 1.68 1.70 -1.26 -1.92 118.95 117.90 3huz s ARG 11 Ca 0.50 -0.89 -0.37 0.00 -0.47 0.00 0.00 55.73 54.49 3huz s ARG 11 Cb -0.39 0.16 -0.15 0.00 -0.57 0.00 0.00 34.95 33.99 3huz s ARG 11 CO 0.51 -0.08 1.57 -2.30 -1.08 0.00 0.00 175.30 173.93 3huz n PRO 12 N 0.91 1.40 -3.26 3.89 -0.02 -1.26 -4.78 135.00 131.89 3huz n PRO 12 Ca -0.19 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.60 3huz n PRO 12 Cb 0.58 -2.20 0.01 0.00 -0.02 0.00 0.00 33.50 31.86 3huz n PRO 12 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3huz s ILE 13 N 2.00 2.63 -0.22 4.25 -4.36 -0.88 -4.89 121.20 119.73 3huz s ILE 13 Ca 0.89 -1.15 -0.04 0.00 -0.26 0.00 0.00 60.65 60.10 3huz s ILE 13 Cb -0.93 -2.78 -0.01 0.00 1.25 0.00 0.00 42.46 39.99 3huz s ILE 13 CO 0.53 0.00 -0.03 -0.69 0.24 0.00 0.00 174.94 174.99 3huz s VAL 14 N -2.48 3.51 0.03 8.37 1.01 -1.26 -1.74 120.40 127.84 3huz s VAL 14 Ca 0.52 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.11 3huz s VAL 14 Cb -0.06 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3huz s VAL 14 CO 0.32 0.42 -0.17 0.00 0.00 0.00 0.00 175.10 175.67 3huz s ALA 15 N 1.40 1.41 0.02 5.51 0.00 -0.84 -5.00 121.76 124.25 3huz s ALA 15 Ca 0.05 -0.88 -0.25 0.00 0.00 0.00 0.00 51.96 50.88 3huz s ALA 15 Cb -0.14 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 3huz s ALA 15 CO -0.02 0.30 0.76 -0.80 0.00 0.00 0.00 175.76 176.01 3huz s ASN 16 N -0.99 7.17 -0.69 0.00 0.01 -1.26 -2.46 114.94 116.71 3huz s ASN 16 Ca 0.05 1.40 -0.20 0.00 -0.71 0.00 0.00 52.86 53.40 3huz s ASN 16 Cb -0.08 -2.46 0.10 0.00 0.41 0.00 0.00 41.25 39.23 3huz s ASN 16 CO 0.01 -0.03 0.88 -0.55 -1.51 0.00 0.00 177.10 175.90 3huz s SER 17 N 0.20 6.30 -0.52 -1.22 0.15 0.48 -4.88 113.70 114.21 3huz s SER 17 Ca 0.39 -1.47 -0.22 0.00 0.70 0.00 0.00 55.95 55.36 3huz s SER 17 Cb -0.20 -2.36 0.05 0.00 -1.71 0.00 0.00 66.02 61.80 3huz s SER 17 CO 0.22 -1.19 0.77 -0.63 1.20 0.00 0.00 173.24 173.61 3huz s ILE 18 N 3.03 4.65 -0.03 6.45 1.01 -1.26 -3.32 121.20 131.73 3huz s ILE 18 Ca 0.20 -0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.50 3huz s ILE 18 Cb -0.17 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 3huz s ILE 18 CO 0.04 -0.92 0.84 -1.10 0.00 0.00 0.00 174.94 173.79 3huz s GLN 19 N 3.24 4.50 0.05 2.79 -1.52 0.64 -4.98 119.66 124.39 3huz s GLN 19 Ca 0.23 1.15 0.07 0.00 -1.95 0.00 0.00 55.36 54.86 3huz s GLN 19 Cb -0.16 -3.45 -0.02 0.00 -0.22 0.00 0.00 33.01 29.16 3huz s GLN 19 CO 0.16 0.03 -0.18 1.03 -0.25 0.00 0.00 175.29 176.07 3huz s ARG 20 N 0.83 1.22 0.04 2.91 0.52 -1.26 -0.20 118.95 123.00 3huz s ARG 20 Ca 0.44 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 3huz s ARG 20 Cb -0.20 -1.31 -0.02 0.00 0.52 0.00 0.00 34.95 33.95 3huz s ARG 20 CO 0.23 0.33 -0.14 1.03 0.02 0.00 0.00 175.30 176.77 3huz s ARG 21 N -1.21 0.96 0.00 3.54 0.52 0.15 -4.85 118.95 118.06 3huz s ARG 21 Ca 0.05 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 3huz s ARG 21 Cb -0.09 -0.97 0.00 0.00 0.52 0.00 0.00 34.95 34.42 3huz s ARG 21 CO 0.02 0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.99 3huz n GLY 22 N 1.96 3.41 3.64 -3.53 0.00 -1.26 0.11 105.19 109.51 3huz n GLY 22 Ca -0.18 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 3huz n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3huz s LYS 23 N -5.23 3.94 0.40 1.61 2.20 -1.26 -4.54 119.74 116.85 3huz s LYS 23 Ca 0.00 2.04 -0.22 0.00 -0.36 0.00 0.00 55.97 57.43 3huz s LYS 23 Cb 0.00 -4.06 -0.14 0.00 -1.51 0.00 0.00 37.83 32.11 3huz s LYS 23 CO 0.00 -1.14 0.33 0.00 -0.36 0.00 0.00 175.35 174.18 3huz n ALA 24 N 8.08 -2.30 0.26 3.13 0.00 -1.26 -3.77 120.51 124.65 3huz n ALA 24 Ca 0.19 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.91 3huz n ALA 24 Cb 0.44 -1.62 0.69 0.00 0.00 0.00 0.00 19.45 18.96 3huz n ALA 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3huz h LYS 25 N 0.59 0.00 0.00 0.00 3.64 -1.83 -2.19 116.57 116.78 3huz h LYS 25 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3huz h LYS 25 Cb 1.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 3huz h LYS 25 CO 0.50 0.13 0.00 -2.13 -2.27 0.00 0.00 179.45 175.68 3huz n ARG 26 N -3.72 0.00 0.08 1.90 0.63 -1.26 -3.96 116.66 110.32 3huz n ARG 26 Ca -0.02 0.26 -0.13 0.00 -0.92 0.00 0.00 57.85 57.04 3huz n ARG 26 Cb 0.24 -1.24 -0.08 0.00 0.45 0.00 0.00 32.46 31.83 3huz n ARG 26 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3huz h GLU 27 N 0.00 -0.57 0.00 -0.14 5.08 -1.92 -3.44 114.58 113.59 3huz h GLU 27 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3huz h GLU 27 Cb 0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3huz h GLU 27 CO 0.00 -0.38 0.00 0.41 -1.00 0.00 0.00 179.01 178.04 3huz n GLY 28 N -1.38 0.50 0.00 -3.84 0.00 -0.83 -5.08 105.19 94.55 3huz n GLY 28 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3huz n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huz n GLY 29 N 4.51 -1.24 4.17 -0.02 0.00 -1.19 -4.76 105.19 106.66 3huz n GLY 29 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3huz n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3huz n VAL 30 N 0.23 0.00 -1.28 1.61 0.31 -1.26 -4.58 118.33 113.37 3huz n VAL 30 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 3huz n VAL 30 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3huz n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3huz n GLY 31 N -1.82 -2.16 3.80 2.92 0.00 -1.25 -4.90 105.19 101.79 3huz n GLY 31 Ca 0.00 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 3huz n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz s LYS 32 N -0.80 3.58 -0.17 1.61 1.02 -1.26 -4.11 119.74 119.61 3huz s LYS 32 Ca 0.00 -0.21 -0.05 0.00 0.02 0.00 0.00 55.97 55.73 3huz s LYS 32 Cb 0.00 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 3huz s LYS 32 CO 0.00 0.62 -0.00 0.15 -0.92 0.00 0.00 175.35 175.20 3huz s LYS 33 N -0.59 3.73 -0.36 1.68 -0.14 0.29 -4.92 119.74 119.43 3huz s LYS 33 Ca 0.12 -0.48 -0.26 0.00 -1.36 0.00 0.00 55.97 53.99 3huz s LYS 33 Cb -0.12 -3.03 0.01 0.00 -1.68 0.00 0.00 37.83 33.01 3huz s LYS 33 CO 0.02 0.19 0.95 0.99 -0.76 0.00 0.00 175.35 176.74 3huz s THR 34 N 0.53 4.57 -0.03 2.17 2.01 -1.26 0.32 115.64 123.95 3huz s THR 34 Ca -0.01 1.29 -0.26 0.00 0.31 0.00 0.00 61.69 63.03 3huz s THR 34 Cb -0.14 -4.35 -0.20 0.00 0.01 0.00 0.00 72.50 67.82 3huz s THR 34 CO 0.02 -0.52 1.23 0.00 -0.69 0.00 0.00 174.62 174.65 3huz h THR 35 N 5.81 1.42 -2.78 -0.82 1.03 -0.91 -3.47 112.91 113.18 3huz h THR 35 Ca -0.23 -1.29 -0.12 0.00 -0.01 0.00 0.00 66.41 64.77 3huz h THR 35 Cb 1.08 2.26 -0.23 0.00 -1.07 0.00 0.00 68.15 70.19 3huz h THR 35 CO 0.99 0.34 -0.22 -0.83 -0.01 0.00 0.00 175.52 175.79 3huz s GLY 36 N -3.32 -0.28 -0.00 2.99 0.00 -1.12 -5.00 107.32 100.58 3huz s GLY 36 Ca -0.16 0.94 0.08 0.00 0.00 0.00 0.00 44.72 45.58 3huz s GLY 36 CO 0.69 0.75 -0.26 -0.42 0.00 0.00 0.00 173.10 173.86 3huz s ILE 37 N -0.29 2.12 -0.19 0.90 1.01 -1.26 -0.26 121.20 123.23 3huz s ILE 37 Ca -0.04 -1.16 -0.28 0.00 0.00 0.00 0.00 60.65 59.17 3huz s ILE 37 Cb -0.03 -1.76 0.10 0.00 0.01 0.00 0.00 42.46 40.77 3huz s ILE 37 CO 0.02 0.53 0.85 -0.94 0.00 0.00 0.00 174.94 175.40 3huz s SER 38 N -0.78 -0.57 1.01 3.58 1.04 -1.21 -4.96 113.70 111.81 3huz s SER 38 Ca 0.11 0.89 -0.13 0.00 0.48 0.00 0.00 55.95 57.30 3huz s SER 38 Cb -0.10 0.83 0.14 0.00 0.10 0.00 0.00 66.02 66.98 3huz s SER 38 CO -0.00 -0.34 0.74 0.29 0.98 0.00 0.00 173.24 174.91 3huz n LYS 39 N 1.68 -0.96 0.00 4.02 4.76 -1.26 -0.38 118.16 126.02 3huz n LYS 39 Ca -0.14 -0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.07 3huz n LYS 39 Cb 0.56 -2.09 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 3huz n LYS 39 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3huz n ARG 40 N -3.33 0.00 -4.22 1.97 1.85 -1.03 -4.63 116.66 107.27 3huz n ARG 40 Ca 0.07 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.73 3huz n ARG 40 Cb 0.54 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.83 3huz n ARG 40 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3huz s ARG 41 N -2.00 0.84 -0.45 2.89 1.70 -1.26 -1.99 118.95 118.68 3huz s ARG 41 Ca 0.00 -0.88 -0.10 0.00 -0.47 0.00 0.00 55.73 54.28 3huz s ARG 41 Cb 0.00 -0.84 0.10 0.00 -0.57 0.00 0.00 34.95 33.63 3huz s ARG 41 CO 0.00 0.19 0.32 -0.65 -1.08 0.00 0.00 175.30 174.08 3huz s GLN 42 N -1.53 2.61 0.63 3.89 -0.21 -0.71 -4.95 119.66 119.39 3huz s GLN 42 Ca -0.01 -1.58 -0.11 0.00 0.02 0.00 0.00 55.36 53.68 3huz s GLN 42 Cb -0.09 -3.90 -0.03 0.00 1.00 0.00 0.00 33.01 29.99 3huz s GLN 42 CO 0.02 -1.07 1.03 0.71 -2.12 0.00 0.00 175.29 173.86 3huz s TYR 43 N 1.43 3.59 0.40 0.91 1.51 -1.26 -2.07 117.35 121.87 3huz s TYR 43 Ca 0.04 1.25 -0.23 0.00 -1.01 0.00 0.00 57.07 57.12 3huz s TYR 43 Cb -0.25 -2.75 -0.10 0.00 -0.11 0.00 0.00 41.96 38.76 3huz s TYR 43 CO 0.01 -0.73 1.00 -2.14 -1.11 0.00 0.00 175.55 172.58 3huz s PRO 44 N -5.19 4.22 -1.24 -1.71 0.02 -1.26 -4.93 135.00 124.92 3huz s PRO 44 Ca 0.55 1.36 -0.08 0.00 0.02 0.00 0.00 61.00 62.85 3huz s PRO 44 Cb -0.11 -2.45 -0.06 0.00 0.02 0.00 0.00 34.50 31.90 3huz s PRO 44 CO 0.53 -0.06 2.92 -1.71 -0.33 0.00 0.00 177.00 178.35 3huz n ASN 45 N -0.19 7.94 -4.80 2.53 4.05 -1.26 -4.89 115.26 118.63 3huz n ASN 45 Ca 0.05 -2.73 -0.35 0.00 0.45 0.00 0.00 54.58 52.00 3huz n ASN 45 Cb 0.51 -1.47 -0.07 0.00 1.23 0.00 0.00 39.78 39.98 3huz n ASN 45 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 3huz s LEU 46 N -0.54 4.17 0.00 1.20 2.34 -1.26 0.05 118.68 124.64 3huz s LEU 46 Ca 0.65 1.69 0.00 0.00 0.06 0.00 0.00 54.13 56.53 3huz s LEU 46 Cb 0.21 -4.17 0.00 0.00 -0.56 0.00 0.00 46.19 41.68 3huz s LEU 46 CO -0.07 -0.18 0.00 0.00 -1.06 0.00 0.00 176.35 175.04 3huz n GLN 47 N 0.05 1.70 -5.09 1.48 1.13 0.75 -4.78 117.38 112.63 3huz n GLN 47 Ca 0.03 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.77 3huz n GLN 47 Cb 0.52 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.72 3huz n GLN 47 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3huz s LYS 48 N 0.21 2.66 -0.09 -1.09 3.01 -1.26 -3.32 119.74 119.85 3huz s LYS 48 Ca 0.00 -0.81 -0.00 0.00 -1.01 0.00 0.00 55.97 54.14 3huz s LYS 48 Cb 0.00 -2.29 0.02 0.00 -1.01 0.00 0.00 37.83 34.55 3huz s LYS 48 CO 0.00 0.43 -0.07 0.08 0.51 0.00 0.00 175.35 176.30 3huz s VAL 49 N -0.25 0.89 0.69 3.17 1.01 -0.85 -4.98 120.40 120.07 3huz s VAL 49 Ca -0.00 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3huz s VAL 49 Cb -0.13 -0.92 0.13 0.00 0.00 0.00 0.00 36.38 35.47 3huz s VAL 49 CO 0.03 0.34 0.94 0.54 0.00 0.00 0.00 175.10 176.95 3huz n ARG 50 N 4.77 0.04 0.00 2.72 1.74 -1.26 0.04 116.66 124.71 3huz n ARG 50 Ca -0.14 -2.75 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 3huz n ARG 50 Cb 0.50 -0.57 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 3huz n ARG 50 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3huz n VAL 51 N -2.72 0.00 0.00 1.55 3.14 -1.22 -4.91 118.33 114.18 3huz n VAL 51 Ca 0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 3huz n VAL 51 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 3huz n VAL 51 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 3huz n ARG 52 N -0.57 0.00 -2.02 1.45 1.85 -1.26 -4.35 116.66 111.75 3huz n ARG 52 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 3huz n ARG 52 Cb 0.00 -0.05 -0.01 0.00 -1.05 0.00 0.00 32.46 31.34 3huz n ARG 52 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3huz n VAL 53 N 0.00 -7.29 -2.77 8.89 0.31 -1.26 -3.90 118.33 112.32 3huz n VAL 53 Ca 0.00 1.15 0.00 0.00 -0.01 0.00 0.00 64.34 65.48 3huz n VAL 53 Cb 0.00 -5.08 0.00 0.00 -0.91 0.00 0.00 33.84 27.85 3huz n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3huz n ALA 54 N 0.63 0.00 -0.04 3.52 0.00 -1.26 -3.22 120.51 120.15 3huz n ALA 54 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 3huz n ALA 54 Cb 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 3huz n ALA 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3huz h GLY 55 N 0.00 -0.05 -1.61 0.00 0.00 -1.86 -3.47 103.07 96.08 3huz h GLY 55 Ca 0.00 0.02 -0.49 0.00 0.00 0.00 0.00 47.33 46.86 3huz h GLY 55 CO 0.00 -0.02 -0.66 -1.06 0.00 0.00 0.00 176.54 174.80 3huz n GLN 56 N -4.75 -1.07 -0.04 4.80 1.13 -1.20 -4.97 117.38 111.28 3huz n GLN 56 Ca -0.05 -0.28 -0.17 0.00 -1.94 0.00 0.00 57.00 54.57 3huz n GLN 56 Cb 0.21 -1.87 -0.14 0.00 0.11 0.00 0.00 30.24 28.55 3huz n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3huz n GLU 57 N -2.40 0.70 -2.49 -1.09 2.13 -1.25 -4.13 120.64 112.11 3huz n GLU 57 Ca 0.04 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.08 3huz n GLU 57 Cb 0.57 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.62 3huz n GLU 57 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3huz n ILE 58 N -3.25 -0.60 -3.61 6.31 3.06 -1.26 -3.37 119.36 116.63 3huz n ILE 58 Ca -0.32 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 59.59 3huz n ILE 58 Cb 1.05 -1.98 -0.05 0.00 0.54 0.00 0.00 39.64 39.19 3huz n ILE 58 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 3huz s THR 59 N 0.00 5.13 0.21 9.51 -1.32 -1.26 -3.99 115.64 123.91 3huz s THR 59 Ca 0.00 0.38 0.09 0.00 -1.21 0.00 0.00 61.69 60.95 3huz s THR 59 Cb 0.00 -3.63 -0.04 0.00 -1.51 0.00 0.00 72.50 67.32 3huz s THR 59 CO 0.00 0.28 -0.08 -0.36 -2.21 0.00 0.00 174.62 172.25 3huz s PHE 60 N -1.40 2.63 -0.55 9.09 0.08 0.11 -4.97 117.98 122.96 3huz s PHE 60 Ca 0.33 -0.23 0.06 0.00 0.12 0.00 0.00 56.93 57.21 3huz s PHE 60 Cb -0.14 -1.25 0.23 0.00 -0.57 0.00 0.00 43.02 41.30 3huz s PHE 60 CO 0.18 0.55 0.60 -2.13 -0.10 0.00 0.00 175.22 174.32 3huz n ARG 61 N -0.21 1.64 -3.74 0.44 0.00 -1.26 -2.00 116.66 111.53 3huz n ARG 61 Ca -0.09 -4.05 -0.21 0.00 -0.00 0.00 0.00 57.85 53.49 3huz n ARG 61 Cb 0.56 -1.88 -0.04 0.00 0.00 0.00 0.00 32.46 31.10 3huz n ARG 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3huz s VAL 62 N -1.68 3.06 -0.10 5.15 0.11 -1.21 -2.47 120.40 123.26 3huz s VAL 62 Ca 0.36 -1.40 -0.17 0.00 -2.93 0.00 0.00 61.98 57.83 3huz s VAL 62 Cb 0.12 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 31.84 3huz s VAL 62 CO -0.08 -0.09 0.45 0.00 -3.33 0.00 0.00 175.10 172.05 3huz s ALA 63 N -2.40 3.52 0.13 1.54 0.00 -1.26 -0.18 121.76 123.12 3huz s ALA 63 Ca 0.44 -0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.29 3huz s ALA 63 Cb -0.04 -2.58 0.45 0.00 0.00 0.00 0.00 23.12 20.95 3huz s ALA 63 CO 0.27 0.10 0.48 0.00 0.00 0.00 0.00 175.76 176.60 3huz n ALA 64 N 3.30 0.41 0.41 0.00 0.00 0.11 0.12 120.51 124.86 3huz n ALA 64 Ca -0.09 0.27 0.09 0.00 0.00 0.00 0.00 53.44 53.72 3huz n ALA 64 Cb 0.52 -0.32 0.40 0.00 0.00 0.00 0.00 19.45 20.04 3huz n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3huz n SER 65 N -3.31 0.35 0.00 0.00 3.41 -1.26 -3.21 113.62 109.60 3huz n SER 65 Ca 0.12 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 3huz n SER 65 Cb 0.47 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3huz n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3huz n HIS 66 N -1.90 0.00 -0.33 7.33 -0.00 0.32 -4.78 115.22 115.86 3huz n HIS 66 Ca 0.02 -0.22 -0.11 0.00 -0.00 0.00 0.00 57.72 57.42 3huz n HIS 66 Cb 0.19 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.99 30.07 3huz n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3huz h ILE 67 N 0.53 0.01 -1.22 1.59 2.04 -1.58 0.43 117.51 119.31 3huz h ILE 67 Ca 0.00 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.21 3huz h ILE 67 Cb 0.42 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.43 3huz h ILE 67 CO 0.00 0.00 0.84 1.55 0.00 0.00 0.00 178.15 180.54 3huz h PRO 68 N -0.11 0.13 0.00 2.37 0.13 -1.86 1.40 132.00 134.06 3huz h PRO 68 Ca 0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3huz h PRO 68 Cb 0.48 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.58 3huz h PRO 68 CO -0.84 0.09 0.00 1.17 -0.23 0.00 0.00 178.00 178.18 3huz n LYS 69 N -4.38 0.54 -0.02 0.86 3.00 0.15 -1.90 118.16 116.41 3huz n LYS 69 Ca 0.29 0.03 -0.19 0.00 -0.00 0.00 0.00 58.31 58.44 3huz n LYS 69 Cb 1.22 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 34.61 3huz n LYS 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3huz n VAL 70 N -1.19 1.70 0.17 3.15 0.31 0.48 -2.95 118.33 120.01 3huz n VAL 70 Ca 0.15 -0.67 0.03 0.00 -0.01 0.00 0.00 64.34 63.84 3huz n VAL 70 Cb 0.17 -1.54 0.26 0.00 -0.91 0.00 0.00 33.84 31.81 3huz n VAL 70 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3huz h TYR 71 N 0.05 0.00 -0.13 3.52 -1.99 -1.38 -2.27 116.97 114.77 3huz h TYR 71 Ca -0.43 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.12 3huz h TYR 71 Cb 2.02 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.75 3huz h TYR 71 CO 0.06 0.47 -0.67 1.49 -0.00 0.00 0.00 178.16 179.51 3huz h GLU 72 N 0.00 0.52 0.86 4.88 4.22 -1.50 0.20 114.58 123.75 3huz h GLU 72 Ca -0.00 -0.39 -0.04 0.00 0.08 0.00 0.00 59.36 59.01 3huz h GLU 72 Cb 1.00 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 3huz h GLU 72 CO 0.06 1.01 -0.50 -0.07 -2.18 0.00 0.00 179.01 177.33 3huz h LEU 73 N 0.37 -1.24 -1.21 1.64 3.38 -1.35 0.17 115.31 117.07 3huz h LEU 73 Ca -0.02 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.25 3huz h LEU 73 Cb 1.25 0.35 -0.10 0.00 0.09 0.00 0.00 40.66 42.25 3huz h LEU 73 CO 0.12 -0.78 0.63 0.58 0.09 0.00 0.00 178.44 179.08 3huz h VAL 74 N -1.26 0.59 0.00 1.22 2.07 -1.39 0.33 116.25 117.82 3huz h VAL 74 Ca -0.12 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3huz h VAL 74 Cb 1.00 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3huz h VAL 74 CO 0.14 0.10 0.00 1.21 0.02 0.00 0.00 177.57 179.03 3huz n GLU 75 N -4.70 0.00 -0.08 1.57 4.07 0.69 -2.37 120.64 119.82 3huz n GLU 75 Ca 0.24 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 3huz n GLU 75 Cb 0.75 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.65 3huz n GLU 75 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3huz n ARG 76 N -1.98 0.87 -0.03 5.31 1.85 0.52 -3.00 116.66 120.20 3huz n ARG 76 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 3huz n ARG 76 Cb 0.00 -1.07 -0.05 0.00 -1.05 0.00 0.00 32.46 30.29 3huz n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3huz n ALA 77 N 0.75 1.84 0.26 2.89 0.00 0.04 -4.61 120.51 121.68 3huz n ALA 77 Ca 0.00 -0.43 0.18 0.00 0.00 0.00 0.00 53.44 53.19 3huz n ALA 77 Cb 0.43 0.13 0.91 0.00 0.00 0.00 0.00 19.45 20.92 3huz n ALA 77 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3huz h LYS 78 N 0.00 0.00 -2.82 0.00 1.57 -1.43 -2.89 116.57 110.99 3huz h LYS 78 Ca -0.18 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 57.88 3huz h LYS 78 Cb 1.40 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.62 3huz h LYS 78 CO 0.01 0.00 2.78 0.41 -0.57 0.00 0.00 179.45 182.07 3huz n GLY 79 N -1.29 4.92 3.56 3.86 0.00 -1.26 -4.84 105.19 110.13 3huz n GLY 79 Ca -0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 3huz n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3huz s LEU 80 N -1.27 -0.69 -0.49 0.99 0.20 -1.10 -5.10 118.68 111.22 3huz s LEU 80 Ca 0.57 1.36 -0.29 0.00 0.69 0.00 0.00 54.13 56.47 3huz s LEU 80 Cb 0.18 2.18 0.02 0.00 -0.43 0.00 0.00 46.19 48.14 3huz s LEU 80 CO -0.08 -0.23 1.28 -0.75 -0.29 0.00 0.00 176.35 176.28 3huz s LYS 81 N 1.28 3.57 -0.30 1.98 2.20 -1.26 -4.93 119.74 122.28 3huz s LYS 81 Ca -0.07 0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 56.04 3huz s LYS 81 Cb -0.05 -4.00 0.12 0.00 -1.51 0.00 0.00 37.83 32.39 3huz s LYS 81 CO -0.14 -1.58 0.68 -0.48 -0.36 0.00 0.00 175.35 173.47 3huz s LEU 82 N 5.12 -1.07 0.00 5.43 2.34 -1.26 -5.11 118.68 124.12 3huz s LEU 82 Ca 0.52 1.52 0.00 0.00 0.06 0.00 0.00 54.13 56.23 3huz s LEU 82 Cb -0.10 2.28 0.00 0.00 -0.56 0.00 0.00 46.19 47.81 3huz s LEU 82 CO 0.30 -0.22 0.00 -0.62 -1.06 0.00 0.00 176.35 174.75 3huz n GLU 83 N 5.19 0.00 -1.77 1.48 4.71 -1.26 -4.75 120.64 124.24 3huz n GLU 83 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.02 3huz n GLU 83 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 3huz n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3huz n GLY 84 N 0.00 -3.84 2.54 0.62 0.00 -1.26 -3.95 105.19 99.30 3huz n GLY 84 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 3huz n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3huz n LEU 85 N 0.19 0.84 -4.07 0.99 4.77 -1.26 -4.50 117.00 113.96 3huz n LEU 85 Ca 0.00 -1.01 -0.35 0.00 -0.03 0.00 0.00 56.01 54.62 3huz n LEU 85 Cb 0.00 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.71 3huz n LEU 85 CO 0.00 -0.33 0.20 -0.94 -1.33 0.00 0.00 177.39 175.00 3huz s SER 86 N 3.26 5.60 0.12 -1.43 1.04 -1.25 -4.93 113.70 116.11 3huz s SER 86 Ca 0.09 -3.50 -0.15 0.00 0.48 0.00 0.00 55.95 52.87 3huz s SER 86 Cb 0.04 -1.85 -0.03 0.00 0.10 0.00 0.00 66.02 64.28 3huz s SER 86 CO -0.00 -0.22 1.56 1.55 0.98 0.00 0.00 173.24 177.11 3huz h PRO 87 N 6.20 0.69 0.25 4.02 0.13 -1.90 -2.87 132.00 138.51 3huz h PRO 87 Ca 0.11 -0.22 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 3huz h PRO 87 Cb 0.84 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3huz h PRO 87 CO 0.79 0.79 -0.12 -0.22 -0.23 0.00 0.00 178.00 179.01 3huz h LYS 88 N 0.51 -0.32 -0.97 0.86 3.11 -1.96 -3.32 116.57 114.47 3huz h LYS 88 Ca 0.11 0.02 0.33 0.00 -2.81 0.00 0.00 60.65 58.30 3huz h LYS 88 Cb 0.48 0.07 -0.16 0.00 -1.00 0.00 0.00 32.23 31.62 3huz h LYS 88 CO 0.02 0.02 0.40 0.93 -2.81 0.00 0.00 179.45 178.01 3huz h GLU 89 N -0.93 0.14 0.67 1.90 5.08 -1.96 0.22 114.58 119.70 3huz h GLU 89 Ca -0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3huz h GLU 89 Cb 0.49 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3huz h GLU 89 CO 0.06 0.09 -0.43 0.82 -1.00 0.00 0.00 179.01 178.55 3huz h ILE 90 N 0.15 0.00 -0.95 3.13 1.08 -1.61 0.16 117.51 119.47 3huz h ILE 90 Ca 0.71 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 65.29 3huz h ILE 90 Cb 1.66 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.28 3huz h ILE 90 CO -0.72 0.00 -0.52 0.50 -0.69 0.00 0.00 178.15 176.72 3huz h LYS 91 N -1.03 -0.03 -0.11 2.37 3.64 -1.09 2.16 116.57 122.48 3huz h LYS 91 Ca -0.09 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3huz h LYS 91 Cb 0.83 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 3huz h LYS 91 CO 0.08 -0.02 -0.20 -0.22 -2.27 0.00 0.00 179.45 176.81 3huz h LYS 92 N -0.03 -0.17 -1.00 1.90 1.63 -1.10 0.27 116.57 118.08 3huz h LYS 92 Ca 0.21 0.01 0.24 0.00 -0.85 0.00 0.00 60.65 60.26 3huz h LYS 92 Cb 0.48 0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.06 3huz h LYS 92 CO -0.92 -0.11 0.64 0.93 -3.45 0.00 0.00 179.45 176.53 3huz h GLU 93 N -0.17 0.45 -1.85 1.90 4.39 0.12 0.48 114.58 119.89 3huz h GLU 93 Ca 0.02 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3huz h GLU 93 Cb 0.23 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3huz h GLU 93 CO -0.20 0.29 0.00 -0.11 -1.16 0.00 0.00 179.01 177.84 3huz n LEU 94 N -4.62 2.72 -0.24 1.33 0.00 0.71 -4.68 117.00 112.21 3huz n LEU 94 Ca 0.23 -1.25 -0.01 0.00 0.00 0.00 0.00 56.01 54.99 3huz n LEU 94 Cb 0.78 -0.55 -0.00 0.00 0.00 0.00 0.00 43.42 43.64 3huz n LEU 94 CO 0.26 0.50 -0.01 0.18 0.00 0.00 0.00 177.39 178.32 3huz n LEU 95 N 1.44 0.10 0.00 -1.96 4.32 0.15 -4.93 117.00 116.13 3huz n LEU 95 Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 3huz n LEU 95 Cb 0.29 -0.97 0.00 0.00 -1.62 0.00 0.00 43.42 41.12 3huz n LEU 95 CO 0.00 -0.23 0.00 1.17 -1.22 0.00 0.00 177.39 177.11