#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6u n GLU 2 N 0.00 -2.60 -3.77 1.61 4.71 -1.26 -4.55 120.64 114.78 1s6u n GLU 2 Ca 0.00 -0.76 -0.35 0.00 -0.01 0.00 0.00 57.16 56.04 1s6u n GLU 2 Cb 0.00 -1.71 -0.08 0.00 -1.01 0.00 0.00 31.44 28.64 1s6u n GLU 2 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1s6u s VAL 3 N -2.17 5.35 -0.33 2.62 -7.23 -0.89 -3.13 120.40 114.62 1s6u s VAL 3 Ca 0.53 0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 60.74 1s6u s VAL 3 Cb -0.11 -3.43 -0.02 0.00 0.56 0.00 0.00 36.38 33.38 1s6u s VAL 3 CO 0.53 0.46 0.21 0.54 -0.31 0.00 0.00 175.10 176.53 1s6u s VAL 4 N 0.26 5.11 0.03 1.32 0.11 0.31 -1.46 120.40 126.08 1s6u s VAL 4 Ca 0.08 -0.24 -0.18 0.00 -2.93 0.00 0.00 61.98 58.71 1s6u s VAL 4 Cb -0.11 -3.60 -0.06 0.00 -1.53 0.00 0.00 36.38 31.08 1s6u s VAL 4 CO -0.01 0.03 0.52 -1.48 -3.33 0.00 0.00 175.10 170.83 1s6u s LEU 5 N 1.70 4.48 -0.16 2.54 0.05 -0.29 -1.14 118.68 125.85 1s6u s LEU 5 Ca 0.06 1.13 -0.01 0.00 0.05 0.00 0.00 54.13 55.36 1s6u s LEU 5 Cb -0.17 -2.80 -0.01 0.00 -2.05 0.00 0.00 46.19 41.16 1s6u s LEU 5 CO 0.09 0.24 -0.11 -0.75 -0.55 0.00 0.00 176.35 175.28 1s6u s LYS 6 N -0.82 3.36 -0.06 1.48 2.47 -1.25 -1.59 119.74 123.33 1s6u s LYS 6 Ca 0.28 -0.68 0.01 0.00 -1.56 0.00 0.00 55.97 54.02 1s6u s LYS 6 Cb -0.18 -2.75 0.02 0.00 -1.46 0.00 0.00 37.83 33.46 1s6u s LYS 6 CO 0.16 0.05 -0.07 0.00 0.16 0.00 0.00 175.35 175.66 1s6u s MET 7 N 0.77 1.15 0.05 4.03 0.23 0.14 -1.69 119.30 123.98 1s6u s MET 7 Ca -0.04 -0.20 -0.30 0.00 -1.03 0.00 0.00 55.69 54.11 1s6u s MET 7 Cb -0.15 -1.09 -0.04 0.00 -1.53 0.00 0.00 34.83 32.01 1s6u s MET 7 CO 0.01 -0.08 1.04 0.15 -2.03 0.00 0.00 175.02 174.12 1s6u s LYS 8 N 0.98 4.55 0.09 3.16 3.01 -0.71 -0.31 119.74 130.51 1s6u s LYS 8 Ca -0.10 1.54 0.09 0.00 -1.01 0.00 0.00 55.97 56.50 1s6u s LYS 8 Cb -0.14 -3.40 -0.03 0.00 -1.01 0.00 0.00 37.83 33.24 1s6u s LYS 8 CO 0.00 -0.05 -0.24 0.14 0.51 0.00 0.00 175.35 175.70 1s6u s VAL 9 N 0.77 2.01 0.02 3.17 -7.23 -0.29 -0.14 120.40 118.72 1s6u s VAL 9 Ca 0.53 -1.55 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 1s6u s VAL 9 Cb -0.24 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1s6u s VAL 9 CO 0.29 0.13 0.05 -1.61 -0.31 0.00 0.00 175.10 173.65 1s6u s GLU 10 N -1.72 2.90 0.00 4.82 0.41 -1.17 -4.50 118.70 119.44 1s6u s GLU 10 Ca 0.11 -0.59 0.00 0.00 -0.41 0.00 0.00 54.97 54.07 1s6u s GLU 10 Cb -0.10 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 1s6u s GLU 10 CO 0.04 0.62 0.00 0.41 -0.49 0.00 0.00 175.26 175.84 1s6u n GLY 11 N 1.05 2.79 3.19 -1.39 0.00 -1.26 -4.61 105.19 104.96 1s6u n GLY 11 Ca -0.12 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 1s6u n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s6u n MET 12 N 0.00 2.33 -1.55 1.61 2.81 -1.26 -4.68 117.12 116.38 1s6u n MET 12 Ca 0.00 -2.53 -0.31 0.00 -1.81 0.00 0.00 57.70 53.05 1s6u n MET 12 Cb 0.00 -3.32 0.06 0.00 -0.71 0.00 0.00 33.22 29.25 1s6u n MET 12 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1s6u n THR 13 N 6.16 3.28 -3.80 2.03 -1.04 -1.26 -4.41 114.28 115.24 1s6u n THR 13 Ca 0.49 -3.34 -0.08 0.00 -2.04 0.00 0.00 64.05 59.09 1s6u n THR 13 Cb 0.42 -1.15 -0.02 0.00 -1.82 0.00 0.00 70.33 67.77 1s6u n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s6u n HIS 15 N -0.45 0.00 0.07 0.00 8.25 -1.26 -4.12 115.22 117.71 1s6u n HIS 15 Ca -0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.37 1s6u n HIS 15 Cb 0.60 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 1s6u n HIS 15 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1s6u h SER 16 N 0.00 -0.20 0.18 0.41 0.87 -1.98 -2.84 113.55 110.00 1s6u h SER 16 Ca 0.00 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1s6u h SER 16 Cb 0.36 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1s6u h SER 16 CO 0.00 0.04 -0.30 0.00 -0.53 0.00 0.00 176.83 176.05 1s6u h THR 18 N -0.56 0.17 -0.38 0.00 1.03 -1.75 -0.37 112.91 111.06 1s6u h THR 18 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.39 1s6u h THR 18 Cb 0.56 0.17 -0.02 0.00 -1.07 0.00 0.00 68.15 67.79 1s6u h THR 18 CO -0.13 0.00 0.14 -1.28 -0.01 0.00 0.00 175.52 174.23 1s6u h SER 19 N -0.35 0.53 -0.35 0.00 0.87 -1.20 0.15 113.55 113.20 1s6u h SER 19 Ca 0.13 -0.18 0.07 0.00 -1.23 0.00 0.00 61.79 60.57 1s6u h SER 19 Cb 0.58 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 1s6u h SER 19 CO -0.50 0.57 -0.04 0.74 -0.53 0.00 0.00 176.83 177.07 1s6u h THR 20 N 0.46 0.69 -0.16 2.23 2.02 -0.44 0.21 112.91 117.92 1s6u h THR 20 Ca 0.12 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1s6u h THR 20 Cb 0.22 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1s6u h THR 20 CO -0.01 0.01 0.07 0.40 0.37 0.00 0.00 175.52 176.36 1s6u h ILE 21 N 0.05 1.14 -0.55 3.11 2.04 -0.72 0.04 117.51 122.63 1s6u h ILE 21 Ca 0.17 -0.41 0.10 0.00 1.00 0.00 0.00 64.86 65.72 1s6u h ILE 21 Cb 0.25 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 1s6u h ILE 21 CO -0.33 0.13 0.07 -0.33 0.00 0.00 0.00 178.15 177.69 1s6u h GLU 22 N 0.12 0.19 0.54 2.37 5.08 -0.04 0.19 114.58 123.02 1s6u h GLU 22 Ca 0.05 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1s6u h GLU 22 Cb 0.14 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1s6u h GLU 22 CO -0.01 0.12 -0.32 0.78 -1.00 0.00 0.00 179.01 178.59 1s6u h GLY 23 N 0.19 -0.87 0.85 -3.84 0.00 -0.43 0.24 103.07 99.21 1s6u h GLY 23 Ca 0.28 0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.95 1s6u h GLY 23 CO -0.41 -0.32 -0.37 1.70 0.00 0.00 0.00 176.54 177.15 1s6u h LYS 24 N -0.81 -0.88 -0.01 4.80 1.63 -0.27 -3.00 116.57 118.03 1s6u h LYS 24 Ca -0.06 0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.68 1s6u h LYS 24 Cb 0.66 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.47 1s6u h LYS 24 CO 0.07 -0.59 -0.51 0.82 -3.45 0.00 0.00 179.45 175.79 1s6u h ILE 25 N -0.91 1.37 -1.16 2.00 1.08 -0.73 -1.97 117.51 117.19 1s6u h ILE 25 Ca -0.07 -1.76 0.33 0.00 -0.39 0.00 0.00 64.86 62.96 1s6u h ILE 25 Cb 0.74 1.94 -0.06 0.00 -3.07 0.00 0.00 36.82 36.37 1s6u h ILE 25 CO 0.07 0.51 0.81 1.23 -0.69 0.00 0.00 178.15 180.08 1s6u h GLY 26 N 1.52 0.37 0.52 5.37 0.00 -0.38 0.21 103.07 110.68 1s6u h GLY 26 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1s6u h GLY 26 CO 0.07 -0.05 -0.04 1.17 0.00 0.00 0.00 176.54 177.68 1s6u n LYS 27 N -4.32 1.08 -2.30 4.80 4.81 -0.74 -4.91 118.16 116.58 1s6u n LYS 27 Ca 0.26 -0.38 -0.35 0.00 -0.87 0.00 0.00 58.31 56.97 1s6u n LYS 27 Cb 1.16 -1.49 -0.00 0.00 0.02 0.00 0.00 35.03 34.72 1s6u n LYS 27 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1s6u s LEU 28 N -2.19 3.78 -0.11 3.14 1.43 0.06 -5.01 118.68 119.78 1s6u s LEU 28 Ca 0.38 2.15 -0.23 0.00 -1.03 0.00 0.00 54.13 55.40 1s6u s LEU 28 Cb 0.21 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.84 1s6u s LEU 28 CO 0.40 -1.14 0.68 -1.58 0.23 0.00 0.00 176.35 174.94 1s6u s GLN 29 N -3.25 4.37 0.00 1.70 0.74 -1.26 -4.18 119.66 117.78 1s6u s GLN 29 Ca 0.72 0.81 0.00 0.00 0.05 0.00 0.00 55.36 56.93 1s6u s GLN 29 Cb -0.23 -3.49 0.00 0.00 1.10 0.00 0.00 33.01 30.39 1s6u s GLN 29 CO 0.26 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.37 1s6u n GLY 30 N 3.30 1.48 3.23 2.59 0.00 -1.26 -4.57 105.19 109.96 1s6u n GLY 30 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1s6u n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s6u s VAL 31 N -2.00 1.75 -0.18 1.61 1.01 -1.26 -0.76 120.40 120.57 1s6u s VAL 31 Ca 0.00 -0.92 0.13 0.00 0.00 0.00 0.00 61.98 61.19 1s6u s VAL 31 Cb 0.00 -1.47 -0.20 0.00 0.00 0.00 0.00 36.38 34.71 1s6u s VAL 31 CO 0.00 0.49 0.02 0.00 0.00 0.00 0.00 175.10 175.61 1s6u n GLN 32 N 2.75 1.10 -3.64 2.72 10.64 -0.16 -4.98 117.38 125.82 1s6u n GLN 32 Ca -0.16 0.01 -0.10 0.00 -1.83 0.00 0.00 57.00 54.91 1s6u n GLN 32 Cb 0.52 -1.44 -0.04 0.00 -0.86 0.00 0.00 30.24 28.43 1s6u n GLN 32 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1s6u s ARG 33 N -2.42 1.27 -0.22 2.61 6.06 -1.08 -5.05 118.95 120.11 1s6u s ARG 33 Ca -0.12 -0.73 -0.19 0.00 -2.50 0.00 0.00 55.73 52.19 1s6u s ARG 33 Cb 0.05 0.52 0.06 0.00 0.06 0.00 0.00 34.95 35.64 1s6u s ARG 33 CO 0.67 -0.53 0.57 -1.50 -2.50 0.00 0.00 175.30 172.01 1s6u s ILE 34 N -3.83 -0.00 -0.02 4.11 2.07 -1.26 -0.72 121.20 121.55 1s6u s ILE 34 Ca 0.05 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.29 1s6u s ILE 34 Cb -0.00 -0.80 0.01 0.00 0.13 0.00 0.00 42.46 41.80 1s6u s ILE 34 CO -0.08 0.00 0.04 -0.54 -1.91 0.00 0.00 174.94 172.45 1s6u s LYS 35 N 0.50 0.02 -0.00 3.50 -0.14 0.35 -4.99 119.74 118.97 1s6u s LYS 35 Ca -0.02 0.11 0.01 0.00 -1.36 0.00 0.00 55.97 54.72 1s6u s LYS 35 Cb -0.04 -0.08 -0.00 0.00 -1.68 0.00 0.00 37.83 36.02 1s6u s LYS 35 CO -0.02 -0.07 -0.04 0.08 -0.76 0.00 0.00 175.35 174.55 1s6u s VAL 36 N 0.43 0.29 -0.08 3.17 1.01 -1.26 0.44 120.40 124.40 1s6u s VAL 36 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1s6u s VAL 36 Cb -0.05 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.10 1s6u s VAL 36 CO -0.01 0.08 -0.12 -0.44 0.00 0.00 0.00 175.10 174.61 1s6u s SER 37 N -0.07 1.93 -0.12 3.32 0.01 0.46 -5.01 113.70 114.22 1s6u s SER 37 Ca 0.01 -0.31 -0.23 0.00 1.31 0.00 0.00 55.95 56.73 1s6u s SER 37 Cb -0.02 -0.86 -0.27 0.00 0.21 0.00 0.00 66.02 65.09 1s6u s SER 37 CO -0.00 -0.00 0.66 0.17 0.41 0.00 0.00 173.24 174.48 1s6u h LEU 38 N 7.27 0.21 0.26 2.44 -0.00 -1.83 -0.19 115.31 123.47 1s6u h LEU 38 Ca -0.31 -0.87 0.01 0.00 -0.00 0.00 0.00 57.88 56.71 1s6u h LEU 38 Cb 1.17 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.73 1s6u h LEU 38 CO 0.46 1.33 -0.46 0.44 -0.00 0.00 0.00 178.44 180.22 1s6u h ASP 39 N -0.67 -1.31 -0.08 0.17 5.19 -1.97 -0.24 116.42 117.51 1s6u h ASP 39 Ca -0.17 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1s6u h ASP 39 Cb 1.40 0.47 0.00 0.00 0.18 0.00 0.00 39.33 41.38 1s6u h ASP 39 CO 0.02 -0.56 0.00 -3.20 -3.12 0.00 0.00 179.24 172.38 1s6u n ASN 40 N -5.50 0.72 -3.69 6.45 4.05 -1.26 -4.95 115.26 111.08 1s6u n ASN 40 Ca -0.09 -1.60 -0.25 0.00 0.45 0.00 0.00 54.58 53.09 1s6u n ASN 40 Cb 0.41 -0.05 0.00 0.00 1.23 0.00 0.00 39.78 41.37 1s6u n ASN 40 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 1s6u n GLN 41 N -0.29 -1.02 -3.84 1.20 7.27 -0.10 -4.89 117.38 115.72 1s6u n GLN 41 Ca 0.14 0.42 -0.12 0.00 0.07 0.00 0.00 57.00 57.51 1s6u n GLN 41 Cb 0.17 -1.79 -0.12 0.00 2.41 0.00 0.00 30.24 30.90 1s6u n GLN 41 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1s6u s GLU 42 N -5.12 0.18 0.11 3.69 2.12 -0.10 -1.14 118.70 118.44 1s6u s GLU 42 Ca 0.11 0.10 0.10 0.00 0.36 0.00 0.00 54.97 55.64 1s6u s GLU 42 Cb -0.06 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 1s6u s GLU 42 CO 0.75 -0.03 -0.25 0.00 -0.54 0.00 0.00 175.26 175.19 1s6u s ALA 43 N -0.11 2.40 -0.13 6.30 0.00 0.58 -0.40 121.76 130.39 1s6u s ALA 43 Ca -0.02 -1.40 -0.00 0.00 0.00 0.00 0.00 51.96 50.54 1s6u s ALA 43 Cb -0.02 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.68 1s6u s ALA 43 CO 0.00 0.55 -0.09 0.99 0.00 0.00 0.00 175.76 177.21 1s6u s THR 44 N -1.01 1.19 -0.16 0.00 2.01 0.17 -0.68 115.64 117.15 1s6u s THR 44 Ca 0.14 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1s6u s THR 44 Cb -0.10 -1.21 0.02 0.00 0.01 0.00 0.00 72.50 71.22 1s6u s THR 44 CO 0.06 0.34 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.52 1s6u s ILE 45 N 1.63 1.84 -0.53 1.82 -1.09 -0.62 -0.50 121.20 123.76 1s6u s ILE 45 Ca 0.04 -0.81 -0.06 0.00 -2.23 0.00 0.00 60.65 57.59 1s6u s ILE 45 Cb -0.13 -1.69 0.14 0.00 -1.58 0.00 0.00 42.46 39.20 1s6u s ILE 45 CO -0.09 0.50 0.37 -0.69 -1.23 0.00 0.00 174.94 173.81 1s6u s VAL 46 N 1.33 3.91 0.25 2.92 1.01 0.10 -1.14 120.40 128.78 1s6u s VAL 46 Ca 0.04 -2.30 0.09 0.00 0.00 0.00 0.00 61.98 59.82 1s6u s VAL 46 Cb -0.13 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1s6u s VAL 46 CO -0.11 -0.81 -0.16 -0.72 0.00 0.00 0.00 175.10 173.31 1s6u s TYR 47 N 0.74 2.01 -0.33 5.22 -0.85 -0.53 -0.98 117.35 122.63 1s6u s TYR 47 Ca 0.11 -0.48 -0.13 0.00 -0.52 0.00 0.00 57.07 56.05 1s6u s TYR 47 Cb -0.22 -0.94 -0.02 0.00 0.38 0.00 0.00 41.96 41.16 1s6u s TYR 47 CO -0.03 0.51 0.23 -1.14 -1.52 0.00 0.00 175.55 173.60 1s6u s GLN 48 N -3.60 3.58 -1.06 -3.49 0.74 0.06 -2.10 119.66 113.80 1s6u s GLN 48 Ca 0.27 -0.58 -0.21 0.00 0.05 0.00 0.00 55.36 54.89 1s6u s GLN 48 Cb -0.02 -3.78 -0.09 0.00 1.10 0.00 0.00 33.01 30.22 1s6u s GLN 48 CO 0.11 -0.40 1.93 -0.35 -0.55 0.00 0.00 175.29 176.03 1s6u n PRO 49 N 5.10 1.83 0.00 1.67 -0.04 -1.26 -2.21 135.00 140.10 1s6u n PRO 49 Ca -0.13 -2.34 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 1s6u n PRO 49 Cb 0.50 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 1s6u n PRO 49 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s6u n HIS 50 N 10.54 -0.24 -0.02 0.54 8.25 -1.26 -4.98 115.22 128.04 1s6u n HIS 50 Ca 0.48 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.78 1s6u n HIS 50 Cb 0.44 0.05 -0.11 0.00 1.12 0.00 0.00 29.99 31.48 1s6u n HIS 50 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1s6u h LEU 51 N 0.00 0.27 -8.62 2.41 3.38 -1.78 -3.48 115.31 107.49 1s6u h LEU 51 Ca 0.00 -0.78 -0.27 0.00 0.09 0.00 0.00 57.88 56.92 1s6u h LEU 51 Cb 0.00 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 40.53 1s6u h LEU 51 CO 0.00 1.01 -0.51 -0.51 0.09 0.00 0.00 178.44 178.53 1s6u s ILE 52 N -3.11 0.00 0.06 1.22 1.10 -1.20 -4.89 121.20 114.38 1s6u s ILE 52 Ca -0.15 -1.91 0.00 0.00 -0.51 0.00 0.00 60.65 58.08 1s6u s ILE 52 Cb 0.01 -2.48 -0.04 0.00 0.15 0.00 0.00 42.46 40.11 1s6u s ILE 52 CO 0.75 0.00 -0.04 -0.94 -2.11 0.00 0.00 174.94 172.60 1s6u s SER 53 N -3.20 0.70 0.29 4.50 1.04 -1.26 -4.34 113.70 111.43 1s6u s SER 53 Ca 0.37 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.85 1s6u s SER 53 Cb 0.05 0.15 0.64 0.00 0.10 0.00 0.00 66.02 66.96 1s6u s SER 53 CO 0.16 -0.51 1.58 0.58 0.98 0.00 0.00 173.24 176.02 1s6u h VAL 54 N 3.29 0.06 -0.87 5.02 2.07 -1.99 0.21 116.25 124.04 1s6u h VAL 54 Ca -0.34 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1s6u h VAL 54 Cb 1.16 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1s6u h VAL 54 CO 0.62 0.00 0.53 -0.08 0.02 0.00 0.00 177.57 178.66 1s6u h GLU 55 N 0.02 1.18 0.03 1.57 4.57 -1.98 0.21 114.58 120.18 1s6u h GLU 55 Ca 0.55 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.63 1s6u h GLU 55 Cb 1.05 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 1s6u h GLU 55 CO -0.91 0.83 -0.05 1.49 -1.18 0.00 0.00 179.01 179.19 1s6u h GLU 56 N 1.20 -0.09 0.29 1.92 4.22 -1.38 0.33 114.58 121.07 1s6u h GLU 56 Ca 0.31 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.75 1s6u h GLU 56 Cb -0.06 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1s6u h GLU 56 CO -0.06 -0.06 -0.36 0.52 -2.18 0.00 0.00 179.01 176.86 1s6u h MET 57 N -0.10 -0.65 0.28 1.92 2.86 -0.83 0.63 114.93 119.04 1s6u h MET 57 Ca 0.01 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1s6u h MET 57 Cb 0.11 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1s6u h MET 57 CO -0.03 -0.43 -0.33 -0.22 1.06 0.00 0.00 176.91 176.95 1s6u h LYS 58 N -0.67 -0.63 -0.61 1.72 3.64 -0.55 0.14 116.57 119.59 1s6u h LYS 58 Ca -0.04 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1s6u h LYS 58 Cb 0.60 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.49 1s6u h LYS 58 CO -0.08 -0.42 0.19 -0.22 -2.27 0.00 0.00 179.45 176.64 1s6u h LYS 59 N -0.66 0.33 -0.52 1.90 3.11 -0.24 0.71 116.57 121.20 1s6u h LYS 59 Ca -0.01 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.75 1s6u h LYS 59 Cb 0.62 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 1s6u h LYS 59 CO -0.10 0.22 0.07 1.96 -2.81 0.00 0.00 179.45 178.80 1s6u h GLN 60 N 0.34 0.87 0.26 1.90 7.50 -0.63 0.62 115.11 125.98 1s6u h GLN 60 Ca 0.32 -0.24 -0.01 0.00 0.50 0.00 0.00 58.65 59.21 1s6u h GLN 60 Cb 0.43 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 27.87 1s6u h GLN 60 CO -0.35 0.86 -0.12 0.82 -1.50 0.00 0.00 178.83 178.53 1s6u h ILE 61 N 0.75 0.00 -1.08 2.54 2.04 0.13 -3.19 117.51 118.71 1s6u h ILE 61 Ca 0.16 -0.25 0.31 0.00 1.00 0.00 0.00 64.86 66.07 1s6u h ILE 61 Cb 0.42 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.38 1s6u h ILE 61 CO 0.01 0.00 0.67 -0.33 0.00 0.00 0.00 178.15 178.50 1s6u h GLU 62 N -0.60 0.34 -0.59 2.37 5.08 0.23 0.88 114.58 122.29 1s6u h GLU 62 Ca -0.04 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.45 1s6u h GLU 62 Cb 0.27 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1s6u h GLU 62 CO 0.06 0.23 0.41 0.00 -1.00 0.00 0.00 179.01 178.71 1s6u h ALA 63 N 1.69 2.39 -0.75 3.43 0.00 -0.86 0.20 119.26 125.35 1s6u h ALA 63 Ca 0.68 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.69 1s6u h ALA 63 Cb 1.70 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 1s6u h ALA 63 CO -0.42 -0.55 0.37 0.52 0.00 0.00 0.00 179.25 179.16 1s6u h MET 64 N 0.12 0.57 0.00 0.00 2.86 -0.80 -3.46 114.93 114.21 1s6u h MET 64 Ca 0.28 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1s6u h MET 64 Cb 0.95 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1s6u h MET 64 CO -0.03 0.37 0.00 0.41 1.06 0.00 0.00 176.91 178.72 1s6u n GLY 65 N -1.31 1.00 3.62 8.32 0.00 0.70 -5.12 105.19 112.39 1s6u n GLY 65 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1s6u n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s6u s PHE 66 N 0.00 2.57 0.31 1.61 0.08 -1.24 -4.99 117.98 116.32 1s6u s PHE 66 Ca 0.00 0.79 -0.29 0.00 0.12 0.00 0.00 56.93 57.55 1s6u s PHE 66 Cb 0.00 -4.05 -0.10 0.00 -0.57 0.00 0.00 43.02 38.30 1s6u s PHE 66 CO 0.00 -1.84 1.36 -1.25 -0.10 0.00 0.00 175.22 173.39 1s6u s PRO 67 N 4.43 4.31 -0.00 0.24 0.04 -1.26 -4.09 135.00 138.67 1s6u s PRO 67 Ca 0.58 2.27 0.02 0.00 0.04 0.00 0.00 61.00 63.90 1s6u s PRO 67 Cb -0.16 -3.07 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 1s6u s PRO 67 CO 0.26 -0.28 -0.05 0.00 0.04 0.00 0.00 177.00 176.97 1s6u s ALA 68 N -0.82 0.42 -0.85 8.56 0.00 -1.26 -3.03 121.76 124.79 1s6u s ALA 68 Ca 0.52 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1s6u s ALA 68 Cb -0.41 -0.10 0.24 0.00 0.00 0.00 0.00 23.12 22.85 1s6u s ALA 68 CO 0.51 0.10 0.85 1.19 0.00 0.00 0.00 175.76 178.41 1s6u n PHE 69 N 2.90 3.70 -1.70 0.00 3.01 0.80 -4.92 117.46 121.25 1s6u n PHE 69 Ca -0.13 -3.93 -0.43 0.00 1.01 0.00 0.00 57.45 53.98 1s6u n PHE 69 Cb 0.58 -0.97 -0.03 0.00 -0.01 0.00 0.00 39.48 39.05 1s6u n PHE 69 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1s6u s VAL 70 N -1.87 3.12 -0.40 -4.37 0.11 -1.26 -1.73 120.40 113.99 1s6u s VAL 70 Ca 0.31 0.12 0.10 0.00 -2.93 0.00 0.00 61.98 59.58 1s6u s VAL 70 Cb 0.00 -3.16 0.38 0.00 -1.53 0.00 0.00 36.38 32.07 1s6u s VAL 70 CO -0.07 -0.11 1.16 2.29 -3.33 0.00 0.00 175.10 175.05 1s6u n LYS 71 N 8.71 1.12 -3.67 1.54 2.85 -0.68 -4.96 118.16 123.06 1s6u n LYS 71 Ca 0.29 -2.25 -0.10 0.00 -1.05 0.00 0.00 58.31 55.19 1s6u n LYS 71 Cb 0.46 -0.68 -0.04 0.00 -0.65 0.00 0.00 35.03 34.13 1s6u n LYS 71 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1s6u s LYS 72 N -0.61 1.28 -0.43 -1.58 1.02 -1.19 -4.94 119.74 113.28 1s6u s LYS 72 Ca 0.25 -0.78 0.08 0.00 0.02 0.00 0.00 55.97 55.53 1s6u s LYS 72 Cb 0.38 0.51 0.33 0.00 -0.52 0.00 0.00 37.83 38.53 1s6u s LYS 72 CO -0.06 -0.54 0.99 1.51 -0.92 0.00 0.00 175.35 176.34 1s6u n ILE 73 N -0.31 -0.06 -1.92 2.17 0.13 -1.26 -3.85 119.36 114.26 1s6u n ILE 73 Ca -0.12 -2.45 -0.30 0.00 -1.10 0.00 0.00 62.75 58.78 1s6u n ILE 73 Cb 0.63 0.94 0.16 0.00 -0.84 0.00 0.00 39.64 40.52 1s6u n ILE 73 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 1s6u s GLU 74 N -0.54 1.06 0.11 9.51 8.01 -0.29 -4.87 118.70 131.68 1s6u s GLU 74 Ca 0.28 -0.25 0.01 0.00 0.01 0.00 0.00 54.97 55.03 1s6u s GLU 74 Cb 0.31 -1.88 -0.04 0.00 -4.31 0.00 0.00 34.13 28.20 1s6u s GLU 74 CO -0.06 -2.16 -0.05 0.20 0.01 0.00 0.00 175.26 173.20 1s6u s GLY 75 N -4.79 0.84 0.00 -1.39 0.00 -1.26 -0.53 107.32 100.19 1s6u s GLY 75 Ca 0.70 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1s6u s GLY 75 CO 0.52 -1.46 0.00 -2.13 0.00 0.00 0.00 173.10 170.03