#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6u s GLU 2 N 0.00 -1.08 -0.09 1.61 1.03 -1.26 -4.46 118.70 114.44 1s6u s GLU 2 Ca 0.00 0.32 0.03 0.00 0.03 0.00 0.00 54.97 55.35 1s6u s GLU 2 Cb 0.00 -1.58 -0.01 0.00 -0.80 0.00 0.00 34.13 31.74 1s6u s GLU 2 CO 0.00 -3.70 -0.19 0.08 -1.33 0.00 0.00 175.26 170.11 1s6u s VAL 3 N -2.73 2.51 -0.17 1.83 1.01 0.85 -4.87 120.40 118.82 1s6u s VAL 3 Ca 0.68 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1s6u s VAL 3 Cb -0.16 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1s6u s VAL 3 CO 0.59 0.55 0.24 -0.69 0.00 0.00 0.00 175.10 175.79 1s6u s VAL 4 N 0.09 5.34 0.02 2.92 1.01 -1.26 -0.96 120.40 127.57 1s6u s VAL 4 Ca -0.09 0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.40 1s6u s VAL 4 Cb -0.15 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1s6u s VAL 4 CO 0.06 0.41 -0.23 -0.76 0.00 0.00 0.00 175.10 174.57 1s6u s LEU 5 N 0.43 2.30 -0.17 3.92 2.01 -0.09 -2.71 118.68 124.36 1s6u s LEU 5 Ca 0.14 -0.50 0.01 0.00 0.01 0.00 0.00 54.13 53.79 1s6u s LEU 5 Cb -0.12 -1.38 0.03 0.00 0.01 0.00 0.00 46.19 44.73 1s6u s LEU 5 CO 0.02 0.28 -0.13 -0.75 1.01 0.00 0.00 176.35 176.77 1s6u s LYS 6 N -1.13 2.29 -0.07 1.70 2.47 -1.26 -1.04 119.74 122.69 1s6u s LYS 6 Ca 0.12 -0.71 0.04 0.00 -1.56 0.00 0.00 55.97 53.86 1s6u s LYS 6 Cb -0.10 -2.30 0.00 0.00 -1.46 0.00 0.00 37.83 33.97 1s6u s LYS 6 CO 0.02 -0.31 -0.20 0.00 0.16 0.00 0.00 175.35 175.02 1s6u s MET 7 N 1.42 2.42 -0.33 4.03 0.23 -0.04 -2.12 119.30 124.91 1s6u s MET 7 Ca 0.02 -0.72 -0.26 0.00 -1.03 0.00 0.00 55.69 53.70 1s6u s MET 7 Cb -0.14 -1.93 0.01 0.00 -1.53 0.00 0.00 34.83 31.24 1s6u s MET 7 CO -0.10 0.19 0.92 0.15 -2.03 0.00 0.00 175.02 174.14 1s6u s LYS 8 N 0.29 3.97 0.04 3.16 3.01 -0.87 -0.40 119.74 128.93 1s6u s LYS 8 Ca -0.13 0.75 0.06 0.00 -1.01 0.00 0.00 55.97 55.64 1s6u s LYS 8 Cb -0.16 -3.75 -0.02 0.00 -1.01 0.00 0.00 37.83 32.89 1s6u s LYS 8 CO 0.06 -0.82 -0.17 0.54 0.51 0.00 0.00 175.35 175.46 1s6u s VAL 9 N 3.31 1.39 0.59 3.17 0.11 -1.25 0.07 120.40 127.80 1s6u s VAL 9 Ca 0.38 -1.06 -0.19 0.00 -2.93 0.00 0.00 61.98 58.18 1s6u s VAL 9 Cb -0.13 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1s6u s VAL 9 CO 0.15 0.14 1.12 -0.62 -3.33 0.00 0.00 175.10 172.56 1s6u n GLU 10 N 1.96 1.13 -0.44 1.54 -0.58 -1.20 -4.17 120.64 118.88 1s6u n GLU 10 Ca -0.17 0.43 -0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1s6u n GLU 10 Cb 0.54 -2.32 -0.00 0.00 -0.57 0.00 0.00 31.44 29.09 1s6u n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s6u n GLY 11 N 1.10 2.24 7.00 0.62 0.00 -1.26 -4.94 105.19 109.94 1s6u n GLY 11 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 1.58 0.00 0.00 1.61 2.81 -1.26 -4.60 117.12 117.26 1s6u n MET 12 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1s6u n MET 12 Cb 0.44 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.95 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 0.00 0.00 -3.65 2.03 -1.04 -1.26 -5.14 114.28 105.22 1s6u n THR 13 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1s6u n THR 13 Cb 0.00 -0.50 -0.02 0.00 -1.82 0.00 0.00 70.33 68.00 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 2.00 0.00 -0.78 0.00 2.07 -2.00 0.15 115.15 116.59 1s6u h HIS 15 Ca -0.25 0.00 0.16 0.00 -2.85 0.00 0.00 60.37 57.43 1s6u h HIS 15 Cb 1.26 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 31.14 1s6u h HIS 15 CO 0.33 0.00 0.30 0.77 -3.07 0.00 0.00 177.93 176.27 1s6u h SER 16 N 0.00 0.26 0.36 3.10 0.02 -1.98 0.61 113.55 115.91 1s6u h SER 16 Ca 0.14 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1s6u h SER 16 Cb 0.74 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1s6u h SER 16 CO -0.00 0.07 -0.17 0.00 -1.14 0.00 0.00 176.83 175.59 1s6u h THR 18 N -0.81 0.39 -0.48 0.00 1.35 -1.56 -0.32 112.91 111.48 1s6u h THR 18 Ca -0.05 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.85 1s6u h THR 18 Cb 0.52 0.39 -0.04 0.00 -1.73 0.00 0.00 68.15 67.30 1s6u h THR 18 CO 0.08 0.00 0.24 -1.28 -0.25 0.00 0.00 175.52 174.31 1s6u h SER 19 N -0.42 0.35 -0.20 5.36 0.87 -0.88 0.23 113.55 118.86 1s6u h SER 19 Ca 0.06 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1s6u h SER 19 Cb 0.50 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1s6u h SER 19 CO -0.23 0.25 0.01 0.74 -0.53 0.00 0.00 176.83 177.07 1s6u h THR 20 N 0.48 0.87 -0.32 2.23 2.02 -0.22 0.13 112.91 118.09 1s6u h THR 20 Ca 0.21 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1s6u h THR 20 Cb 0.12 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1s6u h THR 20 CO -0.15 0.01 0.06 0.40 0.37 0.00 0.00 175.52 176.21 1s6u h ILE 21 N 0.08 0.84 -0.17 3.11 2.04 -0.44 0.12 117.51 123.09 1s6u h ILE 21 Ca 0.09 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1s6u h ILE 21 Cb 0.11 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1s6u h ILE 21 CO -0.15 0.03 -0.07 -0.33 0.00 0.00 0.00 178.15 177.63 1s6u h GLU 22 N 0.17 -0.05 0.42 2.37 5.08 0.31 0.15 114.58 123.04 1s6u h GLU 22 Ca 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1s6u h GLU 22 Cb 0.17 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1s6u h GLU 22 CO -0.20 -0.03 -0.25 0.78 -1.00 0.00 0.00 179.01 178.30 1s6u h GLY 23 N -0.05 -0.67 0.37 -3.84 0.00 -0.61 0.44 103.07 98.71 1s6u h GLY 23 Ca 0.09 0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.76 1s6u h GLY 23 CO -0.21 -0.25 -0.11 1.70 0.00 0.00 0.00 176.54 177.67 1s6u h LYS 24 N -0.64 -0.06 -0.07 4.80 1.63 -0.29 0.13 116.57 122.08 1s6u h LYS 24 Ca -0.05 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1s6u h LYS 24 Cb 0.52 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1s6u h LYS 24 CO 0.06 -0.04 0.03 0.82 -3.45 0.00 0.00 179.45 176.86 1s6u h ILE 25 N -0.06 1.14 -1.10 2.00 1.08 -0.74 -2.18 117.51 117.65 1s6u h ILE 25 Ca 0.14 -0.43 0.31 0.00 -0.39 0.00 0.00 64.86 64.49 1s6u h ILE 25 Cb 0.27 1.30 -0.10 0.00 -3.07 0.00 0.00 36.82 35.22 1s6u h ILE 25 CO -0.31 0.12 0.71 1.23 -0.69 0.00 0.00 178.15 179.21 1s6u h GLY 26 N -0.05 1.21 2.00 5.37 0.00 -0.09 0.31 103.07 111.82 1s6u h GLY 26 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1s6u h GLY 26 CO -0.00 -0.20 0.00 1.70 0.00 0.00 0.00 176.54 178.04 1s6u h LYS 27 N 0.31 0.00 -6.92 4.80 3.64 -0.09 -3.46 116.57 114.86 1s6u h LYS 27 Ca 0.64 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 59.55 1s6u h LYS 27 Cb 1.77 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 1s6u h LYS 27 CO -0.32 0.00 0.37 -0.51 -2.27 0.00 0.00 179.45 176.72 1s6u s LEU 28 N -4.73 4.26 -1.48 5.20 1.43 0.10 -4.94 118.68 118.52 1s6u s LEU 28 Ca 0.03 1.91 -0.12 0.00 -1.03 0.00 0.00 54.13 54.92 1s6u s LEU 28 Cb 0.09 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 1s6u s LEU 28 CO 0.40 -0.22 2.54 0.00 0.23 0.00 0.00 176.35 179.30 1s6u n GLN 29 N 0.32 3.13 0.00 1.70 10.64 -1.26 -3.41 117.38 128.51 1s6u n GLN 29 Ca 0.03 -2.34 0.00 0.00 -1.83 0.00 0.00 57.00 52.86 1s6u n GLN 29 Cb 0.50 -3.02 0.00 0.00 -0.86 0.00 0.00 30.24 26.86 1s6u n GLN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1s6u n GLY 30 N 3.87 0.00 3.59 2.61 0.00 -1.26 -4.56 105.19 109.44 1s6u n GLY 30 Ca 0.63 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 3.63 -0.16 1.61 1.01 -1.22 -0.63 120.40 124.65 1s6u s VAL 31 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1s6u s VAL 31 Cb 0.00 -2.57 -0.08 0.00 0.00 0.00 0.00 36.38 33.73 1s6u s VAL 31 CO 0.00 0.42 -0.17 0.00 0.00 0.00 0.00 175.10 175.35 1s6u n GLN 32 N 1.64 0.36 -3.81 2.72 1.13 0.27 -4.82 117.38 114.86 1s6u n GLN 32 Ca -0.16 0.12 -0.05 0.00 -1.94 0.00 0.00 57.00 54.97 1s6u n GLN 32 Cb 0.53 -1.19 -0.01 0.00 0.11 0.00 0.00 30.24 29.67 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 -2.30 1.55 -0.17 -1.09 3.52 0.00 -5.02 118.95 115.45 1s6u s ARG 33 Ca -0.22 -0.88 -0.27 0.00 -0.13 0.00 0.00 55.73 54.23 1s6u s ARG 33 Cb 0.07 0.51 0.07 0.00 -1.56 0.00 0.00 34.95 34.04 1s6u s ARG 33 CO 0.32 -0.71 0.69 -1.50 -0.81 0.00 0.00 175.30 173.28 1s6u s ILE 34 N -3.44 0.00 -0.39 4.11 2.07 -1.26 -0.25 121.20 122.04 1s6u s ILE 34 Ca 0.12 -0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.38 1s6u s ILE 34 Cb -0.04 -0.98 0.16 0.00 0.13 0.00 0.00 42.46 41.73 1s6u s ILE 34 CO 0.05 -0.00 0.32 -0.54 -1.91 0.00 0.00 174.94 172.85 1s6u s LYS 35 N -0.34 0.75 -0.49 3.50 -0.14 0.24 -4.95 119.74 118.32 1s6u s LYS 35 Ca -0.05 -1.64 -0.18 0.00 -1.36 0.00 0.00 55.97 52.74 1s6u s LYS 35 Cb -0.03 -1.23 0.06 0.00 -1.68 0.00 0.00 37.83 34.96 1s6u s LYS 35 CO 0.05 -1.30 0.54 0.08 -0.76 0.00 0.00 175.35 173.96 1s6u s VAL 36 N 0.62 5.00 -0.12 3.17 1.01 -1.26 -0.45 120.40 128.37 1s6u s VAL 36 Ca 0.26 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1s6u s VAL 36 Cb -0.08 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1s6u s VAL 36 CO -0.10 -0.71 -0.03 -0.44 0.00 0.00 0.00 175.10 173.83 1s6u s SER 37 N 2.60 4.93 -0.22 3.32 0.01 0.06 -4.96 113.70 119.43 1s6u s SER 37 Ca 0.11 -0.02 -0.16 0.00 1.31 0.00 0.00 55.95 57.20 1s6u s SER 37 Cb -0.21 -1.57 -0.18 0.00 0.21 0.00 0.00 66.02 64.28 1s6u s SER 37 CO 0.10 0.27 0.03 0.00 0.41 0.00 0.00 173.24 174.06 1s6u n LEU 38 N 2.84 2.06 -0.02 2.44 -0.00 -1.26 -1.80 117.00 121.26 1s6u n LEU 38 Ca -0.18 0.33 -0.10 0.00 -0.00 0.00 0.00 56.01 56.07 1s6u n LEU 38 Cb 0.53 -0.94 -0.03 0.00 -0.00 0.00 0.00 43.42 42.98 1s6u n LEU 38 CO 0.30 0.49 0.66 0.44 -0.00 0.00 0.00 177.39 179.28 1s6u h ASP 39 N -0.80 -0.92 0.09 1.45 5.19 -1.95 0.13 116.42 119.62 1s6u h ASP 39 Ca -0.48 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1s6u h ASP 39 Cb 1.53 0.41 0.00 0.00 0.18 0.00 0.00 39.33 41.45 1s6u h ASP 39 CO -0.23 -0.33 0.00 0.59 -3.12 0.00 0.00 179.24 176.15 1s6u n ASN 40 N -5.40 0.00 -3.75 6.45 3.02 -1.26 -4.93 115.26 109.40 1s6u n ASN 40 Ca -0.02 -0.82 -0.31 0.00 -0.03 0.00 0.00 54.58 53.40 1s6u n ASN 40 Cb 0.31 -0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.47 1s6u n ASN 40 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1s6u n GLN 41 N -1.05 -1.60 -3.66 3.52 0.00 0.46 -4.99 117.38 110.06 1s6u n GLN 41 Ca 0.21 0.43 -0.09 0.00 -0.00 0.00 0.00 57.00 57.56 1s6u n GLN 41 Cb 0.13 -4.12 -0.09 0.00 0.00 0.00 0.00 30.24 26.16 1s6u n GLN 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1s6u s GLU 42 N -6.15 0.58 -0.28 3.69 2.12 -0.74 -3.82 118.70 114.10 1s6u s GLU 42 Ca 0.39 1.03 -0.05 0.00 0.36 0.00 0.00 54.97 56.69 1s6u s GLU 42 Cb -0.14 0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.34 1s6u s GLU 42 CO 0.87 -0.15 0.04 0.00 -0.54 0.00 0.00 175.26 175.48 1s6u s ALA 43 N 1.45 2.96 -0.04 6.30 0.00 0.46 -0.76 121.76 132.14 1s6u s ALA 43 Ca -0.09 -1.42 -0.19 0.00 0.00 0.00 0.00 51.96 50.26 1s6u s ALA 43 Cb -0.06 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 1s6u s ALA 43 CO -0.16 -0.84 0.54 0.99 0.00 0.00 0.00 175.76 176.30 1s6u s THR 44 N 1.46 5.01 -0.07 0.00 2.01 0.40 -0.86 115.64 123.59 1s6u s THR 44 Ca 0.02 1.12 0.02 0.00 0.31 0.00 0.00 61.69 63.17 1s6u s THR 44 Cb -0.17 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.48 1s6u s THR 44 CO 0.00 0.40 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.57 1s6u s ILE 45 N -0.01 1.25 -0.30 1.82 -1.09 -0.21 -0.59 121.20 122.07 1s6u s ILE 45 Ca 0.29 -0.54 0.01 0.00 -2.23 0.00 0.00 60.65 58.18 1s6u s ILE 45 Cb -0.17 -1.13 0.07 0.00 -1.58 0.00 0.00 42.46 39.65 1s6u s ILE 45 CO 0.15 0.38 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.54 1s6u s VAL 46 N 0.63 2.52 0.27 2.92 1.01 0.65 -0.92 120.40 127.49 1s6u s VAL 46 Ca -0.15 -1.78 0.06 0.00 0.00 0.00 0.00 61.98 60.10 1s6u s VAL 46 Cb -0.16 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 1s6u s VAL 46 CO 0.04 -0.25 -0.04 -0.72 0.00 0.00 0.00 175.10 174.13 1s6u s TYR 47 N 1.10 1.85 -0.22 5.22 1.13 -0.13 -0.57 117.35 125.73 1s6u s TYR 47 Ca -0.02 -0.77 -0.18 0.00 -1.41 0.00 0.00 57.07 54.70 1s6u s TYR 47 Cb -0.20 -1.07 -0.03 0.00 -1.10 0.00 0.00 41.96 39.56 1s6u s TYR 47 CO -0.05 0.19 0.48 -0.65 -2.51 0.00 0.00 175.55 173.02 1s6u s GLN 48 N -3.77 4.14 0.50 -3.49 -0.21 0.20 -0.11 119.66 116.93 1s6u s GLN 48 Ca 0.29 0.32 -0.23 0.00 0.02 0.00 0.00 55.36 55.77 1s6u s GLN 48 Cb 0.04 -3.59 -0.06 0.00 1.00 0.00 0.00 33.01 30.41 1s6u s GLN 48 CO 0.11 -0.19 1.31 -1.25 -2.12 0.00 0.00 175.29 173.16 1s6u s PRO 49 N 1.77 3.42 0.00 2.91 0.04 -1.26 -2.46 135.00 139.43 1s6u s PRO 49 Ca 0.22 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1s6u s PRO 49 Cb -0.15 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1s6u s PRO 49 CO 0.09 -0.93 0.00 1.58 0.04 0.00 0.00 177.00 177.78 1s6u n HIS 50 N -0.70 0.00 -0.06 0.56 -0.00 -1.26 -4.82 115.22 108.93 1s6u n HIS 50 Ca 0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.59 1s6u n HIS 50 Cb 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.32 1s6u n HIS 50 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1s6u h LEU 51 N 0.00 0.13 -8.29 0.27 4.07 -1.81 -3.49 115.31 106.19 1s6u h LEU 51 Ca 0.00 -0.68 -0.18 0.00 0.08 0.00 0.00 57.88 57.10 1s6u h LEU 51 Cb 0.00 -0.04 -0.16 0.00 1.08 0.00 0.00 40.66 41.54 1s6u h LEU 51 CO 0.00 1.53 -0.69 -0.51 -1.08 0.00 0.00 178.44 177.69 1s6u s ILE 52 N -2.40 0.43 0.41 1.22 1.10 -1.23 -4.78 121.20 115.95 1s6u s ILE 52 Ca -0.25 -1.70 0.07 0.00 -0.51 0.00 0.00 60.65 58.26 1s6u s ILE 52 Cb 0.05 -1.37 -0.05 0.00 0.15 0.00 0.00 42.46 41.23 1s6u s ILE 52 CO 0.66 -0.84 0.17 -0.94 -2.11 0.00 0.00 174.94 171.88 1s6u s SER 53 N -2.69 4.39 0.28 4.50 1.04 -1.26 -4.77 113.70 115.19 1s6u s SER 53 Ca 0.05 -1.09 0.01 0.00 0.48 0.00 0.00 55.95 55.40 1s6u s SER 53 Cb 0.03 -0.48 0.58 0.00 0.10 0.00 0.00 66.02 66.26 1s6u s SER 53 CO -0.06 -0.53 1.79 0.58 0.98 0.00 0.00 173.24 176.00 1s6u h VAL 54 N 1.45 0.80 0.25 5.02 2.07 -2.01 -3.09 116.25 120.74 1s6u h VAL 54 Ca -0.43 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1s6u h VAL 54 Cb 1.25 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1s6u h VAL 54 CO 0.71 0.14 -0.12 -0.08 0.02 0.00 0.00 177.57 178.24 1s6u h GLU 55 N 0.79 -0.33 -0.82 1.57 4.22 -1.98 -0.21 114.58 117.82 1s6u h GLU 55 Ca 0.50 0.02 0.07 0.00 0.08 0.00 0.00 59.36 60.04 1s6u h GLU 55 Cb 0.64 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.87 1s6u h GLU 55 CO -0.33 -0.07 -0.49 0.39 -2.18 0.00 0.00 179.01 176.34 1s6u n GLU 56 N -5.14 -0.36 0.00 1.92 1.02 -1.19 0.75 120.64 117.63 1s6u n GLU 56 Ca -0.09 1.29 -0.08 0.00 -0.02 0.00 0.00 57.16 58.25 1s6u n GLU 56 Cb 0.22 -1.89 -0.05 0.00 -0.02 0.00 0.00 31.44 29.70 1s6u n GLU 56 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1s6u h MET 57 N 0.00 -0.31 0.86 3.49 2.86 -1.41 -0.69 114.93 119.73 1s6u h MET 57 Ca 0.13 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1s6u h MET 57 Cb 0.34 0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.08 1s6u h MET 57 CO -0.77 -0.20 -0.41 -0.22 1.06 0.00 0.00 176.91 176.36 1s6u h LYS 58 N -0.32 -1.11 -0.81 1.72 3.11 0.70 0.01 116.57 119.87 1s6u h LYS 58 Ca 0.02 0.08 0.11 0.00 -2.81 0.00 0.00 60.65 58.04 1s6u h LYS 58 Cb 0.37 0.25 -0.12 0.00 -1.00 0.00 0.00 32.23 31.73 1s6u h LYS 58 CO -0.23 -0.74 -0.35 1.17 -2.81 0.00 0.00 179.45 176.50 1s6u n LYS 59 N -5.57 -0.22 -0.24 1.90 3.00 0.23 0.90 118.16 118.15 1s6u n LYS 59 Ca -0.15 1.24 -0.06 0.00 -0.00 0.00 0.00 58.31 59.34 1s6u n LYS 59 Cb 0.46 -1.83 0.05 0.00 0.00 0.00 0.00 35.03 33.71 1s6u n LYS 59 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1s6u h GLN 60 N 0.00 0.91 0.20 1.64 1.08 -0.67 0.11 115.11 118.37 1s6u h GLN 60 Ca 0.25 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1s6u h GLN 60 Cb 0.45 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1s6u h GLN 60 CO -0.79 0.64 -0.10 0.82 -0.95 0.00 0.00 178.83 178.46 1s6u h ILE 61 N 0.91 0.00 -0.88 2.54 2.04 0.14 -3.22 117.51 119.04 1s6u h ILE 61 Ca 0.24 -0.23 0.25 0.00 1.00 0.00 0.00 64.86 66.12 1s6u h ILE 61 Cb -0.03 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.89 1s6u h ILE 61 CO -0.05 0.00 0.04 1.21 0.00 0.00 0.00 178.15 179.35 1s6u n GLU 62 N -3.35 -0.07 -0.07 2.37 2.13 0.26 -0.64 120.64 121.27 1s6u n GLU 62 Ca -0.03 1.31 0.17 0.00 0.66 0.00 0.00 57.16 59.27 1s6u n GLU 62 Cb 0.10 -2.10 0.60 0.00 0.27 0.00 0.00 31.44 30.31 1s6u n GLU 62 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s6u h ALA 63 N 1.76 2.29 -0.98 4.31 0.00 -0.79 0.25 119.26 126.10 1s6u h ALA 63 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1s6u h ALA 63 Cb 1.14 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1s6u h ALA 63 CO -0.82 -0.45 0.63 0.52 0.00 0.00 0.00 179.25 179.13 1s6u h MET 64 N 0.21 1.31 0.00 0.00 2.86 -0.89 -3.46 114.93 114.95 1s6u h MET 64 Ca 0.29 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1s6u h MET 64 Cb 0.87 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1s6u h MET 64 CO -0.05 0.88 0.00 0.41 1.06 0.00 0.00 176.91 179.21 1s6u n GLY 65 N -1.33 0.65 3.53 8.32 0.00 0.89 -5.12 105.19 112.13 1s6u n GLY 65 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.13 3.04 0.17 1.61 0.08 -1.24 -5.00 117.98 116.51 1s6u s PHE 66 Ca 0.00 0.09 -0.30 0.00 0.12 0.00 0.00 56.93 56.83 1s6u s PHE 66 Cb 0.00 -3.47 -0.08 0.00 -0.57 0.00 0.00 43.02 38.89 1s6u s PHE 66 CO 0.00 -0.90 1.33 -1.25 -0.10 0.00 0.00 175.22 174.30 1s6u s PRO 67 N 3.03 4.37 0.01 0.24 0.04 -1.26 -3.68 135.00 137.74 1s6u s PRO 67 Ca 0.26 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.44 1s6u s PRO 67 Cb -0.13 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 1s6u s PRO 67 CO 0.20 -0.31 -0.26 0.00 0.04 0.00 0.00 177.00 176.67 1s6u s ALA 68 N 0.46 2.20 -0.76 8.56 0.00 -1.26 -3.25 121.76 127.71 1s6u s ALA 68 Ca 0.59 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1s6u s ALA 68 Cb -0.36 -0.51 0.19 0.00 0.00 0.00 0.00 23.12 22.44 1s6u s ALA 68 CO 0.35 0.53 0.61 1.19 0.00 0.00 0.00 175.76 178.44 1s6u n PHE 69 N 2.10 3.54 -1.77 0.00 3.72 0.11 -4.89 117.46 120.27 1s6u n PHE 69 Ca -0.16 -4.24 -0.42 0.00 -0.05 0.00 0.00 57.45 52.58 1s6u n PHE 69 Cb 0.52 -0.76 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 1s6u n PHE 69 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1s6u s VAL 70 N -1.56 3.20 -0.43 -4.37 0.11 -1.26 -2.05 120.40 114.03 1s6u s VAL 70 Ca 0.27 0.20 0.08 0.00 -2.93 0.00 0.00 61.98 59.59 1s6u s VAL 70 Cb -0.03 -3.30 0.33 0.00 -1.53 0.00 0.00 36.38 31.85 1s6u s VAL 70 CO -0.14 -0.21 1.01 2.29 -3.33 0.00 0.00 175.10 174.72 1s6u n LYS 71 N 8.70 1.01 -3.45 1.54 2.85 -0.90 -4.98 118.16 122.93 1s6u n LYS 71 Ca 0.27 -2.34 -0.12 0.00 -1.05 0.00 0.00 58.31 55.07 1s6u n LYS 71 Cb 0.47 -1.21 -0.02 0.00 -0.65 0.00 0.00 35.03 33.62 1s6u n LYS 71 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1s6u s LYS 72 N -0.50 1.25 -0.41 -1.58 2.20 -1.23 -4.92 119.74 114.54 1s6u s LYS 72 Ca 0.27 -0.49 0.09 0.00 -0.36 0.00 0.00 55.97 55.48 1s6u s LYS 72 Cb 0.31 0.57 0.36 0.00 -1.51 0.00 0.00 37.83 37.57 1s6u s LYS 72 CO -0.06 -0.54 1.14 1.51 -0.36 0.00 0.00 175.35 177.04 1s6u n ILE 73 N -0.34 0.08 -2.13 5.43 0.13 -1.26 -4.23 119.36 117.03 1s6u n ILE 73 Ca -0.17 -2.05 -0.42 0.00 -1.10 0.00 0.00 62.75 59.01 1s6u n ILE 73 Cb 0.65 1.02 0.00 0.00 -0.84 0.00 0.00 39.64 40.47 1s6u n ILE 73 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1s6u n GLU 74 N -0.02 3.38 0.30 9.51 4.71 -1.10 -4.74 120.64 132.68 1s6u n GLU 74 Ca 0.06 -3.22 0.17 0.00 -0.01 0.00 0.00 57.16 54.16 1s6u n GLU 74 Cb 0.76 -3.04 0.86 0.00 -1.01 0.00 0.00 31.44 29.01 1s6u n GLU 74 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1s6u h GLY 75 N 8.53 0.00 0.00 0.62 0.00 -1.90 -3.34 103.07 106.98 1s6u h GLY 75 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1s6u h GLY 75 CO 1.72 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 176.13