#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 0.00 -4.10 1.61 -0.58 -1.26 -4.66 120.64 111.64 1s6u n GLU 2 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 1s6u n GLU 2 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.74 1s6u n GLU 2 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1s6u s VAL 3 N 0.00 3.83 -0.11 2.62 -7.23 -0.25 -3.84 120.40 115.43 1s6u s VAL 3 Ca 0.00 -0.36 -0.28 0.00 -1.81 0.00 0.00 61.98 59.54 1s6u s VAL 3 Cb 0.00 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1s6u s VAL 3 CO 0.00 0.43 0.92 -0.69 -0.31 0.00 0.00 175.10 175.46 1s6u s VAL 4 N 1.00 4.85 -0.28 1.32 1.01 -1.13 -1.30 120.40 125.87 1s6u s VAL 4 Ca 0.01 1.87 -0.07 0.00 0.00 0.00 0.00 61.98 63.80 1s6u s VAL 4 Cb -0.14 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 1s6u s VAL 4 CO 0.01 0.06 0.07 -0.76 0.00 0.00 0.00 175.10 174.47 1s6u s LEU 5 N 1.80 3.65 -0.41 3.92 2.01 0.59 -1.73 118.68 128.51 1s6u s LEU 5 Ca 0.45 -0.56 -0.16 0.00 0.01 0.00 0.00 54.13 53.87 1s6u s LEU 5 Cb -0.18 -1.88 0.02 0.00 0.01 0.00 0.00 46.19 44.16 1s6u s LEU 5 CO 0.18 -0.14 0.37 -0.75 1.01 0.00 0.00 176.35 177.01 1s6u s LYS 6 N 1.52 3.04 -0.21 1.70 2.47 -0.65 -0.99 119.74 126.62 1s6u s LYS 6 Ca 0.04 -0.89 -0.05 0.00 -1.56 0.00 0.00 55.97 53.51 1s6u s LYS 6 Cb -0.16 -3.97 -0.02 0.00 -1.46 0.00 0.00 37.83 32.21 1s6u s LYS 6 CO 0.02 -0.79 0.00 0.00 0.16 0.00 0.00 175.35 174.74 1s6u s MET 7 N 1.90 3.58 0.57 4.03 0.23 -0.15 -2.12 119.30 127.34 1s6u s MET 7 Ca 0.08 -0.53 -0.18 0.00 -1.03 0.00 0.00 55.69 54.03 1s6u s MET 7 Cb -0.18 -3.09 -0.04 0.00 -1.53 0.00 0.00 34.83 29.98 1s6u s MET 7 CO 0.12 -0.04 1.13 0.15 -2.03 0.00 0.00 175.02 174.34 1s6u s LYS 8 N 1.15 3.20 0.11 3.16 3.01 -0.81 -0.21 119.74 129.34 1s6u s LYS 8 Ca 0.03 1.58 0.04 0.00 -1.01 0.00 0.00 55.97 56.61 1s6u s LYS 8 Cb -0.14 -1.99 -0.04 0.00 -1.01 0.00 0.00 37.83 34.65 1s6u s LYS 8 CO 0.01 -0.97 -0.10 0.14 0.51 0.00 0.00 175.35 174.95 1s6u s VAL 9 N -1.88 0.96 0.06 3.17 -7.23 -0.49 -0.46 120.40 114.53 1s6u s VAL 9 Ca 0.72 -1.78 0.09 0.00 -1.81 0.00 0.00 61.98 59.20 1s6u s VAL 9 Cb -0.24 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 1s6u s VAL 9 CO 0.31 -0.65 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.60 1s6u s GLU 10 N -3.16 1.54 0.00 4.82 8.01 -1.23 -4.63 118.70 124.04 1s6u s GLU 10 Ca 0.09 -1.10 0.00 0.00 0.01 0.00 0.00 54.97 53.97 1s6u s GLU 10 Cb -0.00 -1.75 0.00 0.00 -4.31 0.00 0.00 34.13 28.06 1s6u s GLU 10 CO -0.01 0.44 0.00 0.41 0.01 0.00 0.00 175.26 176.12 1s6u n GLY 11 N 1.60 2.88 3.56 -1.39 0.00 -1.26 -4.56 105.19 106.01 1s6u n GLY 11 Ca -0.17 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1s6u n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s6u s MET 12 N 0.00 2.44 -0.33 1.61 -1.94 -1.26 -4.73 119.30 115.09 1s6u s MET 12 Ca 0.00 0.23 0.12 0.00 -1.71 0.00 0.00 55.69 54.33 1s6u s MET 12 Cb 0.00 -4.77 0.46 0.00 2.01 0.00 0.00 34.83 32.53 1s6u s MET 12 CO 0.00 -3.27 1.10 2.41 -0.01 0.00 0.00 175.02 175.25 1s6u n THR 13 N 7.76 1.89 -3.52 2.05 -1.04 -1.26 -4.56 114.28 115.60 1s6u n THR 13 Ca 0.34 -3.87 -0.10 0.00 -2.04 0.00 0.00 64.05 58.38 1s6u n THR 13 Cb 0.49 -0.24 -0.04 0.00 -1.82 0.00 0.00 70.33 68.73 1s6u n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s6u h HIS 15 N 2.31 0.00 0.32 0.00 2.76 -2.00 -3.31 115.15 115.22 1s6u h HIS 15 Ca -0.22 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.94 1s6u h HIS 15 Cb 1.21 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.14 1s6u h HIS 15 CO 0.28 0.13 -0.47 0.77 -1.30 0.00 0.00 177.93 177.34 1s6u h SER 16 N 0.00 -1.34 0.15 3.26 0.02 -1.98 0.25 113.55 113.90 1s6u h SER 16 Ca -0.00 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1s6u h SER 16 Cb 0.74 0.46 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1s6u h SER 16 CO 0.02 -0.57 -0.08 0.00 -1.14 0.00 0.00 176.83 175.06 1s6u h THR 18 N -0.21 0.25 -0.49 0.00 1.35 -1.68 -0.06 112.91 112.06 1s6u h THR 18 Ca -0.02 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.90 1s6u h THR 18 Cb 0.17 0.25 -0.05 0.00 -1.73 0.00 0.00 68.15 66.79 1s6u h THR 18 CO 0.02 0.00 0.20 -1.28 -0.25 0.00 0.00 175.52 174.22 1s6u h SER 19 N -0.60 0.25 -0.21 5.36 0.87 -0.73 0.15 113.55 118.64 1s6u h SER 19 Ca 0.03 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1s6u h SER 19 Cb 0.62 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 1s6u h SER 19 CO -0.21 0.17 -0.10 0.74 -0.53 0.00 0.00 176.83 176.91 1s6u h THR 20 N 0.40 0.69 -0.38 2.23 2.02 -0.22 0.21 112.91 117.85 1s6u h THR 20 Ca 0.23 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.42 1s6u h THR 20 Cb 0.20 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1s6u h THR 20 CO -0.21 0.00 0.23 0.40 0.37 0.00 0.00 175.52 176.32 1s6u h ILE 21 N -0.07 1.05 -0.60 3.11 2.04 -0.59 -0.07 117.51 122.38 1s6u h ILE 21 Ca 0.11 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.90 1s6u h ILE 21 Cb 0.24 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 1s6u h ILE 21 CO -0.26 0.09 0.23 -0.33 0.00 0.00 0.00 178.15 177.87 1s6u h GLU 22 N 0.47 0.40 0.36 2.37 5.08 0.11 0.25 114.58 123.61 1s6u h GLU 22 Ca 0.15 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1s6u h GLU 22 Cb -0.01 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1s6u h GLU 22 CO -0.06 0.26 -0.36 0.78 -1.00 0.00 0.00 179.01 178.63 1s6u h GLY 23 N 0.41 -0.84 1.01 -3.84 0.00 -0.27 0.10 103.07 99.65 1s6u h GLY 23 Ca 0.30 0.41 -0.04 0.00 0.00 0.00 0.00 47.33 48.00 1s6u h GLY 23 CO -0.30 -0.30 -0.36 1.70 0.00 0.00 0.00 176.54 177.28 1s6u h LYS 24 N -0.74 -0.97 -0.67 4.80 1.63 -0.06 -2.20 116.57 118.36 1s6u h LYS 24 Ca -0.03 0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 1s6u h LYS 24 Cb 0.67 0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 32.48 1s6u h LYS 24 CO -0.06 -0.65 0.43 0.82 -3.45 0.00 0.00 179.45 176.55 1s6u h ILE 25 N -1.00 1.14 -1.01 2.00 1.08 -0.63 -1.01 117.51 118.07 1s6u h ILE 25 Ca -0.10 -0.30 0.26 0.00 -0.39 0.00 0.00 64.86 64.33 1s6u h ILE 25 Cb 0.77 0.19 -0.07 0.00 -3.07 0.00 0.00 36.82 34.65 1s6u h ILE 25 CO 0.17 0.16 0.68 1.23 -0.69 0.00 0.00 178.15 179.70 1s6u h GLY 26 N 0.87 0.69 0.54 5.37 0.00 -0.62 -0.02 103.07 109.89 1s6u h GLY 26 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1s6u h GLY 26 CO -0.07 -0.06 -0.14 1.17 0.00 0.00 0.00 176.54 177.44 1s6u n LYS 27 N -4.45 0.85 -2.90 4.80 4.81 -0.40 -4.88 118.16 116.00 1s6u n LYS 27 Ca 0.23 -0.39 -0.40 0.00 -0.87 0.00 0.00 58.31 56.88 1s6u n LYS 27 Cb 0.92 -1.49 -0.05 0.00 0.02 0.00 0.00 35.03 34.42 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 -2.41 4.55 -0.05 3.14 1.43 -0.02 -5.02 118.68 120.28 1s6u s LEU 28 Ca 0.29 1.66 -0.30 0.00 -1.03 0.00 0.00 54.13 54.75 1s6u s LEU 28 Cb 0.20 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1s6u s LEU 28 CO 0.47 0.10 1.38 0.00 0.23 0.00 0.00 176.35 178.53 1s6u s GLN 29 N -0.64 4.26 0.00 1.70 -2.07 -1.26 -3.60 119.66 118.05 1s6u s GLN 29 Ca 0.39 1.89 0.00 0.00 -1.82 0.00 0.00 55.36 55.83 1s6u s GLN 29 Cb -0.23 -3.68 0.00 0.00 -1.09 0.00 0.00 33.01 28.01 1s6u s GLN 29 CO 0.27 -0.63 0.00 0.41 -1.32 0.00 0.00 175.29 174.02 1s6u n GLY 30 N 3.68 0.83 3.92 2.60 0.00 -1.26 -4.45 105.19 110.51 1s6u n GLY 30 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1s6u n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6u s VAL 31 N -1.68 5.02 -0.03 1.61 0.11 -1.24 -0.81 120.40 123.39 1s6u s VAL 31 Ca 0.00 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 1s6u s VAL 31 Cb 0.00 -3.84 -0.02 0.00 -1.53 0.00 0.00 36.38 30.99 1s6u s VAL 31 CO 0.00 -0.62 -0.04 0.00 -3.33 0.00 0.00 175.10 171.11 1s6u n GLN 32 N -1.81 0.07 -3.74 1.54 1.13 0.39 -4.83 117.38 110.14 1s6u n GLN 32 Ca -0.02 0.03 -0.05 0.00 -1.94 0.00 0.00 57.00 55.02 1s6u n GLN 32 Cb 0.55 -0.73 -0.02 0.00 0.11 0.00 0.00 30.24 30.16 1s6u n GLN 32 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1s6u s ARG 33 N -2.06 1.27 -0.17 -1.09 3.52 -0.99 -4.99 118.95 114.44 1s6u s ARG 33 Ca -0.05 -0.68 -0.23 0.00 -0.13 0.00 0.00 55.73 54.65 1s6u s ARG 33 Cb 0.02 0.45 0.06 0.00 -1.56 0.00 0.00 34.95 33.91 1s6u s ARG 33 CO 0.06 -0.58 0.59 -1.50 -0.81 0.00 0.00 175.30 173.07 1s6u s ILE 34 N -3.40 0.01 -0.30 4.11 2.07 -1.26 -0.21 121.20 122.22 1s6u s ILE 34 Ca 0.11 -0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.28 1s6u s ILE 34 Cb -0.02 -0.85 0.12 0.00 0.13 0.00 0.00 42.46 41.83 1s6u s ILE 34 CO 0.02 -0.03 0.19 -0.54 -1.91 0.00 0.00 174.94 172.67 1s6u s LYS 35 N -0.17 0.29 -0.22 3.50 -0.14 0.72 -4.99 119.74 118.74 1s6u s LYS 35 Ca -0.04 -0.55 -0.12 0.00 -1.36 0.00 0.00 55.97 53.90 1s6u s LYS 35 Cb -0.03 -1.04 -0.05 0.00 -1.68 0.00 0.00 37.83 35.03 1s6u s LYS 35 CO 0.03 -1.05 0.20 0.08 -0.76 0.00 0.00 175.35 173.85 1s6u s VAL 36 N 2.00 5.34 -0.03 3.17 1.01 -1.26 -0.47 120.40 130.16 1s6u s VAL 36 Ca 0.11 0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.45 1s6u s VAL 36 Cb -0.16 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1s6u s VAL 36 CO -0.30 0.36 -0.20 -0.44 0.00 0.00 0.00 175.10 174.52 1s6u s SER 37 N 0.83 3.55 -0.17 3.32 0.01 0.12 -4.97 113.70 116.40 1s6u s SER 37 Ca 0.10 -0.33 -0.15 0.00 1.31 0.00 0.00 55.95 56.88 1s6u s SER 37 Cb -0.13 -0.59 -0.22 0.00 0.21 0.00 0.00 66.02 65.28 1s6u s SER 37 CO 0.03 0.33 0.29 0.17 0.41 0.00 0.00 173.24 174.48 1s6u h LEU 38 N 5.39 0.19 0.17 2.44 -0.00 -1.83 -2.56 115.31 119.13 1s6u h LEU 38 Ca -0.45 -0.71 0.00 0.00 -0.00 0.00 0.00 57.88 56.73 1s6u h LEU 38 Cb 1.14 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.70 1s6u h LEU 38 CO 0.49 1.66 -0.40 0.44 -0.00 0.00 0.00 178.44 180.62 1s6u h ASP 39 N -0.52 -1.19 -0.33 0.17 5.19 -1.96 -0.44 116.42 117.35 1s6u h ASP 39 Ca -0.38 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1s6u h ASP 39 Cb 1.64 0.43 0.00 0.00 0.18 0.00 0.00 39.33 41.57 1s6u h ASP 39 CO -0.07 -0.46 0.00 -3.20 -3.12 0.00 0.00 179.24 172.39 1s6u n ASN 40 N -4.78 2.62 -3.89 6.45 5.15 -1.26 -4.94 115.26 114.61 1s6u n ASN 40 Ca -0.07 -2.22 -0.26 0.00 -0.60 0.00 0.00 54.58 51.43 1s6u n ASN 40 Cb 0.33 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.17 1s6u n ASN 40 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1s6u n GLN 41 N 0.45 -0.62 -4.42 1.20 7.27 -0.18 -4.94 117.38 116.15 1s6u n GLN 41 Ca 0.13 -0.17 -0.20 0.00 0.07 0.00 0.00 57.00 56.83 1s6u n GLN 41 Cb 0.50 -1.11 -0.15 0.00 2.41 0.00 0.00 30.24 31.89 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 -6.32 0.89 -0.18 3.69 2.12 -0.96 -1.39 118.70 116.54 1s6u s GLU 42 Ca 0.25 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.24 1s6u s GLU 42 Cb -0.14 -0.85 0.02 0.00 0.26 0.00 0.00 34.13 33.42 1s6u s GLU 42 CO 0.56 0.18 -0.19 0.00 -0.54 0.00 0.00 175.26 175.27 1s6u s ALA 43 N -0.06 2.30 -0.38 6.30 0.00 0.70 -0.70 121.76 129.92 1s6u s ALA 43 Ca 0.01 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 1s6u s ALA 43 Cb -0.06 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1s6u s ALA 43 CO -0.00 -0.42 0.42 0.99 0.00 0.00 0.00 175.76 176.75 1s6u s THR 44 N 1.30 5.10 -0.20 0.00 2.01 0.38 -0.97 115.64 123.25 1s6u s THR 44 Ca 0.04 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 1s6u s THR 44 Cb -0.14 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1s6u s THR 44 CO -0.12 -0.27 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.79 1s6u s ILE 45 N 2.15 2.68 -0.26 1.82 1.09 -0.16 -0.20 121.20 128.31 1s6u s ILE 45 Ca 0.13 -0.77 -0.06 0.00 -1.10 0.00 0.00 60.65 58.85 1s6u s ILE 45 Cb -0.16 -2.20 -0.01 0.00 -1.06 0.00 0.00 42.46 39.03 1s6u s ILE 45 CO 0.13 0.45 0.05 -0.69 -0.10 0.00 0.00 174.94 174.78 1s6u s VAL 46 N 1.37 3.94 0.14 2.92 1.01 0.71 -0.30 120.40 130.19 1s6u s VAL 46 Ca 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1s6u s VAL 46 Cb -0.14 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1s6u s VAL 46 CO -0.08 0.25 0.10 -0.72 0.00 0.00 0.00 175.10 174.65 1s6u s TYR 47 N 1.53 0.77 -0.40 5.22 -0.85 -0.42 -0.46 117.35 122.74 1s6u s TYR 47 Ca 0.05 -1.14 -0.19 0.00 -0.52 0.00 0.00 57.07 55.27 1s6u s TYR 47 Cb -0.16 -0.40 0.01 0.00 0.38 0.00 0.00 41.96 41.80 1s6u s TYR 47 CO 0.02 -0.56 0.52 -1.14 -1.52 0.00 0.00 175.55 172.86 1s6u s GLN 48 N -4.03 3.32 -1.09 -3.49 0.74 0.01 -1.09 119.66 114.04 1s6u s GLN 48 Ca 0.23 -0.45 -0.20 0.00 0.05 0.00 0.00 55.36 54.99 1s6u s GLN 48 Cb 0.07 -3.91 -0.07 0.00 1.10 0.00 0.00 33.01 30.20 1s6u s GLN 48 CO 0.02 -0.83 1.96 -0.35 -0.55 0.00 0.00 175.29 175.54 1s6u n PRO 49 N 5.84 2.06 0.00 1.67 -0.04 -1.26 -2.40 135.00 140.87 1s6u n PRO 49 Ca -0.05 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1s6u n PRO 49 Cb 0.48 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 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 8.96 -0.45 -0.07 0.54 8.25 -1.26 -5.00 115.22 126.19 1s6u n HIS 50 Ca 0.49 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.80 1s6u n HIS 50 Cb 0.42 0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.57 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 0.75 0.00 2.41 3.38 -1.80 -3.47 115.31 116.58 1s6u h LEU 51 Ca 0.00 -0.54 -0.35 0.00 0.09 0.00 0.00 57.88 57.08 1s6u h LEU 51 Cb 0.00 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.45 1s6u h LEU 51 CO 0.00 1.15 -0.33 0.00 0.09 0.00 0.00 178.44 179.35 1s6u n ILE 52 N -4.21 0.00 -3.95 1.22 3.06 -1.24 -4.84 119.36 109.40 1s6u n ILE 52 Ca -0.05 -1.69 -0.09 0.00 -2.50 0.00 0.00 62.75 58.41 1s6u n ILE 52 Cb 0.54 0.78 -0.10 0.00 0.54 0.00 0.00 39.64 41.41 1s6u n ILE 52 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1s6u s SER 53 N -2.66 0.20 0.26 9.51 1.04 -1.26 -4.70 113.70 116.09 1s6u s SER 53 Ca 0.24 -0.51 -0.06 0.00 0.48 0.00 0.00 55.95 56.10 1s6u s SER 53 Cb 0.01 0.18 0.47 0.00 0.10 0.00 0.00 66.02 66.78 1s6u s SER 53 CO 0.17 -0.43 1.41 0.52 0.98 0.00 0.00 173.24 175.89 1s6u n VAL 54 N 1.08 -0.38 -0.09 5.02 0.31 -1.26 -1.63 118.33 121.38 1s6u n VAL 54 Ca -0.21 2.06 -0.10 0.00 -0.01 0.00 0.00 64.34 66.08 1s6u n VAL 54 Cb 0.57 -2.88 -0.02 0.00 -0.91 0.00 0.00 33.84 30.60 1s6u n VAL 54 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1s6u h GLU 55 N 0.00 0.42 -0.23 5.55 4.22 -1.98 0.10 114.58 122.66 1s6u h GLU 55 Ca 0.46 -0.06 0.05 0.00 0.08 0.00 0.00 59.36 59.89 1s6u h GLU 55 Cb 0.75 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1s6u h GLU 55 CO -0.92 0.40 -0.10 1.49 -2.18 0.00 0.00 179.01 177.70 1s6u h GLU 56 N 0.33 -0.07 0.27 1.92 4.22 -1.72 0.48 114.58 120.01 1s6u h GLU 56 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.55 1s6u h GLU 56 Cb 0.12 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1s6u h GLU 56 CO -0.01 -0.04 -0.48 0.52 -2.18 0.00 0.00 179.01 176.81 1s6u h MET 57 N -0.07 -0.79 0.58 1.92 0.00 -0.88 0.15 114.93 115.83 1s6u h MET 57 Ca 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 59.70 59.85 1s6u h MET 57 Cb 0.25 0.18 0.01 0.00 0.00 0.00 0.00 31.60 32.04 1s6u h MET 57 CO -0.28 -0.53 -0.28 -0.22 0.00 0.00 0.00 176.91 175.61 1s6u h LYS 58 N -0.82 -0.75 -0.91 1.72 3.64 -0.51 0.49 116.57 119.43 1s6u h LYS 58 Ca -0.02 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.64 1s6u h LYS 58 Cb 0.78 0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 32.64 1s6u h LYS 58 CO -0.19 -0.50 0.41 -0.22 -2.27 0.00 0.00 179.45 176.69 1s6u h LYS 59 N -0.78 0.39 0.24 1.90 3.11 0.06 0.66 116.57 122.15 1s6u h LYS 59 Ca -0.08 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.73 1s6u h LYS 59 Cb 0.60 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1s6u h LYS 59 CO 0.13 0.26 -0.12 1.96 -2.81 0.00 0.00 179.45 178.87 1s6u h GLN 60 N 0.40 -0.31 0.70 1.90 1.08 -0.48 -2.54 115.11 115.86 1s6u h GLN 60 Ca 0.57 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.76 1s6u h GLN 60 Cb 1.10 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1s6u h GLN 60 CO -0.53 0.00 -0.36 0.82 -0.95 0.00 0.00 178.83 177.81 1s6u h ILE 61 N -0.65 0.00 -0.46 2.54 2.04 0.12 -2.75 117.51 118.35 1s6u h ILE 61 Ca -0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.96 1s6u h ILE 61 Cb 0.46 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1s6u h ILE 61 CO 0.05 0.00 0.48 -0.33 0.00 0.00 0.00 178.15 178.35 1s6u h GLU 62 N -0.97 0.00 -0.79 2.37 5.08 0.10 0.15 114.58 120.52 1s6u h GLU 62 Ca -0.10 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.41 1s6u h GLU 62 Cb 0.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 1s6u h GLU 62 CO 0.14 0.00 0.52 0.00 -1.00 0.00 0.00 179.01 178.67 1s6u h ALA 63 N 1.48 2.03 -0.65 3.43 0.00 -1.13 0.68 119.26 125.10 1s6u h ALA 63 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1s6u h ALA 63 Cb 1.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1s6u h ALA 63 CO -0.00 -0.24 0.43 0.52 0.00 0.00 0.00 179.25 179.96 1s6u h MET 64 N 0.50 0.70 0.00 0.00 2.86 -0.75 -3.46 114.93 114.78 1s6u h MET 64 Ca 0.39 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1s6u h MET 64 Cb 0.79 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1s6u h MET 64 CO -0.14 0.46 0.00 0.41 1.06 0.00 0.00 176.91 178.71 1s6u n GLY 65 N -1.46 1.53 3.64 8.32 0.00 0.23 -5.10 105.19 112.35 1s6u n GLY 65 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.05 2.18 0.63 1.61 0.08 -1.26 -4.99 117.98 115.18 1s6u s PHE 66 Ca 0.00 0.54 -0.18 0.00 0.12 0.00 0.00 56.93 57.42 1s6u s PHE 66 Cb 0.00 -3.92 -0.02 0.00 -0.57 0.00 0.00 43.02 38.51 1s6u s PHE 66 CO 0.00 -2.92 1.21 -1.25 -0.10 0.00 0.00 175.22 172.16 1s6u s PRO 67 N 4.43 2.75 -0.07 0.24 0.04 -1.26 -4.00 135.00 137.14 1s6u s PRO 67 Ca 0.69 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 63.48 1s6u s PRO 67 Cb -0.26 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.40 1s6u s PRO 67 CO 0.28 -1.37 0.18 0.00 0.04 0.00 0.00 177.00 176.13 1s6u s ALA 68 N -1.70 -0.45 -0.83 8.56 0.00 -1.26 -3.56 121.76 122.51 1s6u s ALA 68 Ca 0.77 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1s6u s ALA 68 Cb -0.30 -0.28 0.21 0.00 0.00 0.00 0.00 23.12 22.74 1s6u s ALA 68 CO 0.37 -0.09 0.70 -0.06 0.00 0.00 0.00 175.76 176.68 1s6u s PHE 69 N 0.02 3.79 -0.49 0.00 0.08 0.39 -4.94 117.98 116.83 1s6u s PHE 69 Ca -0.01 -2.99 -0.27 0.00 0.12 0.00 0.00 56.93 53.78 1s6u s PHE 69 Cb -0.02 -3.21 -0.01 0.00 -0.57 0.00 0.00 43.02 39.21 1s6u s PHE 69 CO 0.00 -0.75 1.77 0.54 -0.10 0.00 0.00 175.22 176.68 1s6u s VAL 70 N -1.12 3.48 -0.42 -0.44 0.11 -1.26 -1.93 120.40 118.83 1s6u s VAL 70 Ca 0.25 0.40 0.09 0.00 -2.93 0.00 0.00 61.98 59.79 1s6u s VAL 70 Cb -0.09 -3.90 0.37 0.00 -1.53 0.00 0.00 36.38 31.22 1s6u s VAL 70 CO -0.11 -0.74 1.21 2.29 -3.33 0.00 0.00 175.10 174.42 1s6u n LYS 71 N 8.79 1.12 -3.18 1.54 2.85 -0.90 -4.96 118.16 123.41 1s6u n LYS 71 Ca 0.20 -2.03 0.02 0.00 -1.05 0.00 0.00 58.31 55.45 1s6u n LYS 71 Cb 0.50 -0.56 -0.01 0.00 -0.65 0.00 0.00 35.03 34.30 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 -0.12 0.54 -1.24 -1.58 1.02 -1.21 -4.93 119.74 112.23 1s6u s LYS 72 Ca 0.23 0.69 -0.08 0.00 0.02 0.00 0.00 55.97 56.84 1s6u s LYS 72 Cb 0.36 0.27 0.20 0.00 -0.52 0.00 0.00 37.83 38.14 1s6u s LYS 72 CO -0.07 -0.85 1.85 -0.89 -0.92 0.00 0.00 175.35 174.47 1s6u n ILE 73 N 5.41 4.71 -2.29 2.17 -0.00 -1.26 -1.64 119.36 126.47 1s6u n ILE 73 Ca 0.02 -4.76 -0.43 0.00 -0.00 0.00 0.00 62.75 57.58 1s6u n ILE 73 Cb 0.52 -2.24 0.00 0.00 -0.00 0.00 0.00 39.64 37.92 1s6u n ILE 73 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1s6u n GLU 74 N 2.97 3.11 -4.01 0.38 0.00 -0.70 -4.89 120.64 117.50 1s6u n GLU 74 Ca 0.39 -3.09 -0.30 0.00 0.00 0.00 0.00 57.16 54.17 1s6u n GLU 74 Cb 0.34 -3.36 -0.05 0.00 0.00 0.00 0.00 31.44 28.37 1s6u n GLU 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1s6u s GLY 75 N 3.56 2.00 0.00 8.31 0.00 -1.26 -2.85 107.32 117.08 1s6u s GLY 75 Ca 0.50 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1s6u s GLY 75 CO 0.01 -0.98 0.00 -0.96 0.00 0.00 0.00 173.10 171.17