#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 3.15 -0.11 1.61 1.03 -1.26 -4.86 118.70 118.27 1s6u s GLU 2 Ca 0.00 1.13 0.02 0.00 0.03 0.00 0.00 54.97 56.15 1s6u s GLU 2 Cb 0.00 -2.01 -0.01 0.00 -0.80 0.00 0.00 34.13 31.31 1s6u s GLU 2 CO 0.00 -0.94 -0.18 0.14 -1.33 0.00 0.00 175.26 172.95 1s6u s VAL 3 N -2.64 2.61 -0.26 1.83 -7.23 0.45 -4.45 120.40 110.70 1s6u s VAL 3 Ca 0.62 -0.83 -0.19 0.00 -1.81 0.00 0.00 61.98 59.76 1s6u s VAL 3 Cb -0.16 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1s6u s VAL 3 CO 0.43 0.55 0.58 0.54 -0.31 0.00 0.00 175.10 176.89 1s6u s VAL 4 N 0.20 5.02 -0.20 1.32 0.11 -1.26 -1.05 120.40 124.54 1s6u s VAL 4 Ca -0.11 1.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.90 1s6u s VAL 4 Cb -0.16 -3.89 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 1s6u s VAL 4 CO 0.06 0.05 0.03 -0.76 -3.33 0.00 0.00 175.10 171.16 1s6u s LEU 5 N 2.41 3.44 -0.29 2.54 2.01 0.27 -2.19 118.68 126.88 1s6u s LEU 5 Ca 0.24 -0.12 -0.07 0.00 0.01 0.00 0.00 54.13 54.19 1s6u s LEU 5 Cb -0.16 -1.88 0.00 0.00 0.01 0.00 0.00 46.19 44.17 1s6u s LEU 5 CO 0.09 0.08 0.08 -0.75 1.01 0.00 0.00 176.35 176.85 1s6u s LYS 6 N 0.93 3.17 -0.21 1.70 2.47 -1.23 -0.91 119.74 125.66 1s6u s LYS 6 Ca 0.02 -0.80 -0.02 0.00 -1.56 0.00 0.00 55.97 53.61 1s6u s LYS 6 Cb -0.14 -3.36 0.01 0.00 -1.46 0.00 0.00 37.83 32.88 1s6u s LYS 6 CO 0.02 -0.40 -0.10 -1.64 0.16 0.00 0.00 175.35 173.39 1s6u s MET 7 N 1.51 3.16 0.01 4.03 -1.94 0.34 -2.69 119.30 123.73 1s6u s MET 7 Ca 0.03 -0.75 -0.30 0.00 -1.71 0.00 0.00 55.69 52.96 1s6u s MET 7 Cb -0.17 -2.86 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 1s6u s MET 7 CO 0.02 -0.23 1.33 0.15 -0.01 0.00 0.00 175.02 176.28 1s6u s LYS 8 N 1.39 4.32 0.13 2.03 3.01 -0.75 -0.19 119.74 129.69 1s6u s LYS 8 Ca 0.05 1.89 0.10 0.00 -1.01 0.00 0.00 55.97 56.99 1s6u s LYS 8 Cb -0.14 -3.49 -0.04 0.00 -1.01 0.00 0.00 37.83 33.14 1s6u s LYS 8 CO -0.07 -0.48 -0.21 0.14 0.51 0.00 0.00 175.35 175.24 1s6u s VAL 9 N 1.99 2.64 0.15 3.17 -7.23 -0.45 -0.17 120.40 120.51 1s6u s VAL 9 Ca 0.61 -1.63 0.08 0.00 -1.81 0.00 0.00 61.98 59.24 1s6u s VAL 9 Cb -0.30 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1s6u s VAL 9 CO 0.26 0.07 -0.07 -1.61 -0.31 0.00 0.00 175.10 173.44 1s6u s GLU 10 N -2.18 2.16 0.00 4.82 0.41 -1.21 -4.34 118.70 118.36 1s6u s GLU 10 Ca 0.17 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 53.58 1s6u s GLU 10 Cb -0.10 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 30.00 1s6u s GLU 10 CO 0.09 0.46 0.00 0.41 -0.49 0.00 0.00 175.26 175.73 1s6u n GLY 11 N 0.21 1.52 3.54 -1.39 0.00 -1.26 -4.77 105.19 103.04 1s6u n GLY 11 Ca -0.11 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 0.67 -0.27 1.61 2.81 -1.26 -4.68 117.12 115.99 1s6u n MET 12 Ca 0.00 -0.20 0.03 0.00 -1.81 0.00 0.00 57.70 55.72 1s6u n MET 12 Cb 0.00 -3.00 0.05 0.00 -0.71 0.00 0.00 33.22 29.56 1s6u n MET 12 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1s6u n THR 13 N 7.92 0.69 -4.17 2.03 -2.24 -1.26 -4.62 114.28 112.64 1s6u n THR 13 Ca 0.47 -0.82 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 1s6u n THR 13 Cb 0.40 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 1s6u n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s6u h HIS 15 N 2.89 0.00 0.90 0.00 3.86 -1.99 -3.28 115.15 117.54 1s6u h HIS 15 Ca -0.35 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.81 1s6u h HIS 15 Cb 1.18 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.66 1s6u h HIS 15 CO 0.51 0.00 -0.43 1.03 0.86 0.00 0.00 177.93 179.90 1s6u h SER 16 N 0.00 -1.02 0.35 2.45 0.87 -1.98 0.65 113.55 114.86 1s6u h SER 16 Ca 0.00 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1s6u h SER 16 Cb 0.54 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1s6u h SER 16 CO 0.00 -0.68 -0.26 0.00 -0.53 0.00 0.00 176.83 175.35 1s6u h THR 18 N -0.61 0.90 -0.45 0.00 1.35 -1.61 -0.38 112.91 112.10 1s6u h THR 18 Ca -0.03 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.87 1s6u h THR 18 Cb 0.53 0.90 -0.04 0.00 -1.73 0.00 0.00 68.15 67.81 1s6u h THR 18 CO -0.00 0.00 0.24 -1.28 -0.25 0.00 0.00 175.52 174.22 1s6u h SER 19 N -0.00 0.35 -0.19 5.36 0.87 -0.79 0.29 113.55 119.44 1s6u h SER 19 Ca 0.05 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1s6u h SER 19 Cb 0.08 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 1s6u h SER 19 CO -0.10 0.25 -0.13 0.74 -0.53 0.00 0.00 176.83 177.06 1s6u h THR 20 N 0.47 0.63 -0.61 2.23 2.02 -0.29 0.16 112.91 117.53 1s6u h THR 20 Ca 0.19 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 1s6u h THR 20 Cb 0.09 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1s6u h THR 20 CO -0.13 0.00 0.21 0.40 0.37 0.00 0.00 175.52 176.38 1s6u h ILE 21 N -0.13 1.24 -0.35 3.11 2.04 -0.73 -0.34 117.51 122.35 1s6u h ILE 21 Ca 0.11 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1s6u h ILE 21 Cb 0.29 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1s6u h ILE 21 CO -0.27 0.30 0.13 -0.33 0.00 0.00 0.00 178.15 177.98 1s6u h GLU 22 N 0.85 0.27 0.12 2.37 5.08 0.30 0.34 114.58 123.92 1s6u h GLU 22 Ca 0.20 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1s6u h GLU 22 Cb 0.25 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1s6u h GLU 22 CO -0.01 0.18 -0.31 0.78 -1.00 0.00 0.00 179.01 178.65 1s6u h GLY 23 N 0.28 -0.59 0.67 -3.84 0.00 -0.50 0.18 103.07 99.27 1s6u h GLY 23 Ca 0.16 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 1s6u h GLY 23 CO -0.16 -0.24 -0.24 1.70 0.00 0.00 0.00 176.54 177.60 1s6u h LYS 24 N -0.54 -0.65 -0.38 4.80 1.63 -0.45 -3.15 116.57 117.84 1s6u h LYS 24 Ca 0.03 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.84 1s6u h LYS 24 Cb 0.56 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1s6u h LYS 24 CO -0.18 -0.35 0.08 0.82 -3.45 0.00 0.00 179.45 176.37 1s6u h ILE 25 N -1.02 1.18 -0.92 2.00 1.08 -0.42 0.34 117.51 119.75 1s6u h ILE 25 Ca -0.07 -0.65 0.27 0.00 -0.39 0.00 0.00 64.86 64.02 1s6u h ILE 25 Cb 0.60 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.13 1s6u h ILE 25 CO 0.11 0.23 0.75 1.23 -0.69 0.00 0.00 178.15 179.79 1s6u h GLY 26 N 0.79 0.00 -3.05 5.37 0.00 -0.62 -0.06 103.07 105.49 1s6u h GLY 26 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1s6u h GLY 26 CO -0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1s6u n LYS 27 N -3.96 4.26 -1.25 4.80 4.81 0.11 -4.98 118.16 121.94 1s6u n LYS 27 Ca 0.19 -3.03 -0.30 0.00 -0.87 0.00 0.00 58.31 54.30 1s6u n LYS 27 Cb 1.07 -2.09 0.12 0.00 0.02 0.00 0.00 35.03 34.14 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 -2.54 2.57 -0.97 3.14 1.43 -0.04 -4.99 118.68 117.28 1s6u s LEU 28 Ca 0.51 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 55.09 1s6u s LEU 28 Cb 0.38 -4.13 0.25 0.00 0.03 0.00 0.00 46.19 42.71 1s6u s LEU 28 CO 0.17 -2.36 0.94 0.00 0.23 0.00 0.00 176.35 175.33 1s6u s GLN 29 N -4.94 3.90 0.00 1.70 -2.07 -1.26 -4.01 119.66 112.98 1s6u s GLN 29 Ca 0.62 -2.87 0.00 0.00 -1.82 0.00 0.00 55.36 51.29 1s6u s GLN 29 Cb -0.17 -4.48 0.00 0.00 -1.09 0.00 0.00 33.01 27.27 1s6u s GLN 29 CO 0.56 -1.26 0.00 0.41 -1.32 0.00 0.00 175.29 173.68 1s6u n GLY 30 N 3.28 -0.39 3.90 2.60 0.00 -1.26 -4.13 105.19 109.19 1s6u n GLY 30 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.59 4.91 0.00 1.61 0.11 -1.26 -0.69 120.40 124.49 1s6u s VAL 31 Ca 0.00 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1s6u s VAL 31 Cb 0.00 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 1s6u s VAL 31 CO 0.00 -0.72 0.00 0.00 -3.33 0.00 0.00 175.10 171.05 1s6u n GLN 32 N -1.93 0.00 -3.91 1.54 1.13 0.39 -4.85 117.38 109.76 1s6u n GLN 32 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 1s6u n GLN 32 Cb 0.55 -0.80 -0.03 0.00 0.11 0.00 0.00 30.24 30.08 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 -1.81 1.77 -0.23 -1.09 3.52 -0.64 -5.03 118.95 115.43 1s6u s ARG 33 Ca 0.00 -1.15 -0.20 0.00 -0.13 0.00 0.00 55.73 54.24 1s6u s ARG 33 Cb 0.00 0.56 0.06 0.00 -1.56 0.00 0.00 34.95 34.01 1s6u s ARG 33 CO 0.00 -0.79 0.61 -1.50 -0.81 0.00 0.00 175.30 172.82 1s6u s ILE 34 N -3.74 -0.00 -0.44 4.11 2.07 -1.26 -0.04 121.20 121.90 1s6u s ILE 34 Ca 0.16 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.44 1s6u s ILE 34 Cb -0.04 -0.86 0.17 0.00 0.13 0.00 0.00 42.46 41.86 1s6u s ILE 34 CO 0.09 0.00 0.34 -0.54 -1.91 0.00 0.00 174.94 172.92 1s6u s LYS 35 N 0.51 1.06 -0.19 3.50 -0.14 0.71 -4.96 119.74 120.22 1s6u s LYS 35 Ca -0.01 -2.18 -0.25 0.00 -1.36 0.00 0.00 55.97 52.17 1s6u s LYS 35 Cb -0.05 -1.65 -0.01 0.00 -1.68 0.00 0.00 37.83 34.44 1s6u s LYS 35 CO -0.02 -1.36 0.81 0.08 -0.76 0.00 0.00 175.35 174.10 1s6u s VAL 36 N -0.02 4.88 0.38 3.17 1.01 -1.25 -0.70 120.40 127.87 1s6u s VAL 36 Ca 0.30 1.57 0.08 0.00 0.00 0.00 0.00 61.98 63.93 1s6u s VAL 36 Cb 0.00 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 1s6u s VAL 36 CO -0.17 0.00 0.44 -0.44 0.00 0.00 0.00 175.10 174.93 1s6u s SER 37 N 1.22 5.49 0.00 3.32 0.01 0.32 -4.93 113.70 119.12 1s6u s SER 37 Ca 0.36 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1s6u s SER 37 Cb -0.16 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.25 1s6u s SER 37 CO 0.11 -0.58 0.00 0.00 0.41 0.00 0.00 173.24 173.17 1s6u n LEU 38 N -1.63 1.08 -0.12 2.44 -0.00 -1.26 -3.98 117.00 113.52 1s6u n LEU 38 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.94 1s6u n LEU 38 Cb 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.97 1s6u n LEU 38 CO 0.41 0.12 0.57 0.44 -0.00 0.00 0.00 177.39 178.94 1s6u h ASP 39 N 0.00 -1.45 -0.44 1.45 5.19 -1.93 0.80 116.42 120.04 1s6u h ASP 39 Ca 0.00 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1s6u h ASP 39 Cb 0.80 0.63 0.00 0.00 0.18 0.00 0.00 39.33 40.94 1s6u h ASP 39 CO 0.00 -0.37 0.00 -3.20 -3.12 0.00 0.00 179.24 172.55 1s6u n ASN 40 N -5.41 4.58 -3.93 6.45 2.85 -1.26 -4.95 115.26 113.59 1s6u n ASN 40 Ca -0.01 -2.69 -0.35 0.00 -0.11 0.00 0.00 54.58 51.42 1s6u n ASN 40 Cb 0.35 -0.64 0.01 0.00 1.24 0.00 0.00 39.78 40.75 1s6u n ASN 40 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s6u n GLN 41 N 0.50 -0.55 -3.77 1.20 6.02 0.27 -4.92 117.38 116.13 1s6u n GLN 41 Ca 0.21 0.10 -0.13 0.00 -0.01 0.00 0.00 57.00 57.17 1s6u n GLN 41 Cb 0.96 -1.83 -0.11 0.00 1.02 0.00 0.00 30.24 30.29 1s6u n GLN 41 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1s6u s GLU 42 N -6.48 0.35 -0.18 -1.09 2.12 -1.26 -1.34 118.70 110.83 1s6u s GLU 42 Ca 0.32 0.37 0.01 0.00 0.36 0.00 0.00 54.97 56.03 1s6u s GLU 42 Cb -0.18 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.40 1s6u s GLU 42 CO 0.79 -0.05 -0.20 0.00 -0.54 0.00 0.00 175.26 175.27 1s6u s ALA 43 N 0.08 2.33 -0.21 6.30 0.00 0.74 -0.52 121.76 130.48 1s6u s ALA 43 Ca -0.01 -1.22 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 1s6u s ALA 43 Cb -0.02 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1s6u s ALA 43 CO 0.01 -0.36 0.29 0.99 0.00 0.00 0.00 175.76 176.68 1s6u s THR 44 N 1.29 5.28 -0.08 0.00 2.01 0.12 -0.50 115.64 123.75 1s6u s THR 44 Ca 0.05 0.48 0.03 0.00 0.31 0.00 0.00 61.69 62.55 1s6u s THR 44 Cb -0.13 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.76 1s6u s THR 44 CO -0.13 0.31 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.32 1s6u s ILE 45 N 1.07 1.47 -0.25 1.82 1.09 -0.08 -0.21 121.20 126.11 1s6u s ILE 45 Ca 0.14 -0.66 -0.05 0.00 -1.10 0.00 0.00 60.65 58.98 1s6u s ILE 45 Cb -0.14 -1.32 -0.00 0.00 -1.06 0.00 0.00 42.46 39.94 1s6u s ILE 45 CO 0.06 0.43 0.02 -0.69 -0.10 0.00 0.00 174.94 174.65 1s6u s VAL 46 N 0.65 3.67 0.28 2.92 1.01 0.94 -0.57 120.40 129.31 1s6u s VAL 46 Ca -0.14 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1s6u s VAL 46 Cb -0.16 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1s6u s VAL 46 CO 0.04 0.27 0.21 -0.72 0.00 0.00 0.00 175.10 174.90 1s6u s TYR 47 N 1.49 1.51 -0.41 5.22 1.13 -0.22 -0.46 117.35 125.62 1s6u s TYR 47 Ca 0.04 -1.54 -0.11 0.00 -1.41 0.00 0.00 57.07 54.05 1s6u s TYR 47 Cb -0.16 -0.66 0.06 0.00 -1.10 0.00 0.00 41.96 40.10 1s6u s TYR 47 CO -0.00 -0.77 0.25 -1.14 -2.51 0.00 0.00 175.55 171.38 1s6u s GLN 48 N -3.75 2.75 -1.19 -3.49 2.00 0.13 -0.42 119.66 115.69 1s6u s GLN 48 Ca 0.40 -1.28 -0.20 0.00 -2.00 0.00 0.00 55.36 52.28 1s6u s GLN 48 Cb 0.04 -3.81 -0.04 0.00 0.80 0.00 0.00 33.01 30.01 1s6u s GLN 48 CO 0.21 -0.85 1.90 -0.35 -0.50 0.00 0.00 175.29 175.69 1s6u n PRO 49 N 4.99 2.22 0.00 1.67 -0.04 -1.26 -2.30 135.00 140.28 1s6u n PRO 49 Ca -0.11 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.69 1s6u n PRO 49 Cb 0.44 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.40 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 10.72 -0.28 -0.03 0.54 8.25 -1.26 -4.98 115.22 128.19 1s6u n HIS 50 Ca 0.48 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.79 1s6u n HIS 50 Cb 0.45 0.06 -0.09 0.00 1.12 0.00 0.00 29.99 31.52 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 0.42 -8.81 2.41 3.38 -1.79 -3.47 115.31 107.46 1s6u h LEU 51 Ca 0.00 -0.63 -0.33 0.00 0.09 0.00 0.00 57.88 57.01 1s6u h LEU 51 Cb 0.00 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 40.48 1s6u h LEU 51 CO 0.00 0.99 -0.63 -0.51 0.09 0.00 0.00 178.44 178.38 1s6u s ILE 52 N -3.70 0.54 0.09 1.22 2.07 -1.22 -4.85 121.20 115.35 1s6u s ILE 52 Ca -0.14 -1.99 0.02 0.00 -1.41 0.00 0.00 60.65 57.13 1s6u s ILE 52 Cb 0.04 -2.50 -0.04 0.00 0.13 0.00 0.00 42.46 40.09 1s6u s ILE 52 CO 0.78 -0.12 -0.07 -0.94 -1.91 0.00 0.00 174.94 172.68 1s6u s SER 53 N -3.27 1.12 0.27 4.50 1.04 -1.26 -4.49 113.70 111.61 1s6u s SER 53 Ca 0.34 -0.91 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 1s6u s SER 53 Cb 0.07 0.08 0.58 0.00 0.10 0.00 0.00 66.02 66.85 1s6u s SER 53 CO 0.11 -0.40 1.38 0.52 0.98 0.00 0.00 173.24 175.84 1s6u n VAL 54 N 0.28 -0.37 0.06 5.02 0.31 -1.26 -0.83 118.33 121.54 1s6u n VAL 54 Ca -0.14 1.98 -0.12 0.00 -0.01 0.00 0.00 64.34 66.04 1s6u n VAL 54 Cb 0.59 -2.83 -0.06 0.00 -0.91 0.00 0.00 33.84 30.63 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 -0.09 -0.45 5.55 4.57 -1.98 0.03 114.58 122.21 1s6u h GLU 55 Ca 0.50 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.77 1s6u h GLU 55 Cb 0.95 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.48 1s6u h GLU 55 CO -0.86 -0.06 0.00 0.93 -1.18 0.00 0.00 179.01 177.84 1s6u h GLU 56 N -0.09 0.11 0.00 1.92 4.39 -1.39 0.61 114.58 120.14 1s6u h GLU 56 Ca 0.01 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.72 1s6u h GLU 56 Cb 0.10 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 1s6u h GLU 56 CO -0.03 0.07 -0.39 0.52 -1.16 0.00 0.00 179.01 178.03 1s6u h MET 57 N 0.11 -0.47 0.77 2.33 0.00 -1.11 0.14 114.93 116.70 1s6u h MET 57 Ca 0.22 0.03 -0.04 0.00 0.00 0.00 0.00 59.70 59.92 1s6u h MET 57 Cb 0.32 0.11 0.01 0.00 0.00 0.00 0.00 31.60 32.04 1s6u h MET 57 CO -0.37 -0.32 -0.37 -0.22 0.00 0.00 0.00 176.91 175.63 1s6u h LYS 58 N -0.49 -1.00 -0.92 1.72 3.11 -0.07 0.10 116.57 119.01 1s6u h LYS 58 Ca 0.01 0.07 0.16 0.00 -2.81 0.00 0.00 60.65 58.07 1s6u h LYS 58 Cb 0.53 0.23 -0.16 0.00 -1.00 0.00 0.00 32.23 31.82 1s6u h LYS 58 CO -0.26 -0.66 -0.33 -0.22 -2.81 0.00 0.00 179.45 175.17 1s6u h LYS 59 N -1.06 -0.02 -0.23 1.90 3.11 0.18 0.75 116.57 121.21 1s6u h LYS 59 Ca -0.11 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1s6u h LYS 59 Cb 0.80 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 1s6u h LYS 59 CO 0.17 -0.01 0.15 1.96 -2.81 0.00 0.00 179.45 178.91 1s6u h GLN 60 N -0.02 0.31 0.25 1.90 1.08 -0.47 0.63 115.11 118.78 1s6u h GLN 60 Ca 0.37 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.53 1s6u h GLN 60 Cb 0.62 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1s6u h GLN 60 CO -0.94 0.21 -0.12 0.82 -0.95 0.00 0.00 178.83 177.85 1s6u h ILE 61 N 0.31 0.00 -1.09 2.54 2.04 0.14 -3.16 117.51 118.29 1s6u h ILE 61 Ca 0.08 -0.16 0.31 0.00 1.00 0.00 0.00 64.86 66.10 1s6u h ILE 61 Cb -0.02 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.94 1s6u h ILE 61 CO -0.02 0.00 0.67 -0.33 0.00 0.00 0.00 178.15 178.48 1s6u h GLU 62 N -0.49 0.32 -0.66 2.37 5.08 0.27 0.79 114.58 122.27 1s6u h GLU 62 Ca -0.03 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.43 1s6u h GLU 62 Cb 0.25 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1s6u h GLU 62 CO 0.06 0.21 0.44 0.00 -1.00 0.00 0.00 179.01 178.72 1s6u h ALA 63 N 1.69 2.12 -0.67 3.43 0.00 -0.83 0.11 119.26 125.11 1s6u h ALA 63 Ca 0.69 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.62 1s6u h ALA 63 Cb 1.74 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 1s6u h ALA 63 CO -0.43 -0.28 0.42 0.52 0.00 0.00 0.00 179.25 179.48 1s6u h MET 64 N 0.36 0.80 0.00 0.00 2.86 -0.80 -3.47 114.93 114.68 1s6u h MET 64 Ca 0.31 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1s6u h MET 64 Cb 0.73 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1s6u h MET 64 CO -0.08 0.53 0.00 0.41 1.06 0.00 0.00 176.91 178.82 1s6u n GLY 65 N -1.28 0.92 3.65 8.32 0.00 0.38 -5.12 105.19 112.06 1s6u n GLY 65 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.30 3.28 0.28 1.61 0.08 -1.26 -4.98 117.98 116.69 1s6u s PHE 66 Ca 0.00 1.29 -0.29 0.00 0.12 0.00 0.00 56.93 58.05 1s6u s PHE 66 Cb 0.00 -3.34 -0.10 0.00 -0.57 0.00 0.00 43.02 39.01 1s6u s PHE 66 CO 0.00 -0.55 1.35 -1.25 -0.10 0.00 0.00 175.22 174.67 1s6u s PRO 67 N 3.23 4.33 0.00 0.24 0.04 -1.26 -3.80 135.00 137.79 1s6u s PRO 67 Ca 0.42 2.22 0.01 0.00 0.04 0.00 0.00 61.00 63.69 1s6u s PRO 67 Cb -0.14 -3.10 -0.00 0.00 0.04 0.00 0.00 34.50 31.29 1s6u s PRO 67 CO 0.09 -0.27 -0.04 0.00 0.04 0.00 0.00 177.00 176.82 1s6u s ALA 68 N -0.57 0.33 -0.75 8.56 0.00 -1.26 -3.28 121.76 124.78 1s6u s ALA 68 Ca 0.54 -0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 1s6u s ALA 68 Cb -0.40 -0.07 0.19 0.00 0.00 0.00 0.00 23.12 22.84 1s6u s ALA 68 CO 0.47 0.07 0.59 -0.06 0.00 0.00 0.00 175.76 176.83 1s6u s PHE 69 N -0.20 3.62 -0.73 0.00 0.08 0.76 -4.90 117.98 116.61 1s6u s PHE 69 Ca 0.00 -2.90 -0.26 0.00 0.12 0.00 0.00 56.93 53.89 1s6u s PHE 69 Cb -0.02 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 1s6u s PHE 69 CO -0.00 -0.77 1.60 0.54 -0.10 0.00 0.00 175.22 176.49 1s6u s VAL 70 N -0.73 3.56 -0.45 -0.44 0.11 -1.26 -1.81 120.40 119.37 1s6u s VAL 70 Ca 0.22 0.15 0.07 0.00 -2.93 0.00 0.00 61.98 59.48 1s6u s VAL 70 Cb -0.13 -4.44 0.32 0.00 -1.53 0.00 0.00 36.38 30.59 1s6u s VAL 70 CO -0.08 -1.39 1.05 2.29 -3.33 0.00 0.00 175.10 173.64 1s6u n LYS 71 N 9.21 0.99 -3.66 1.54 2.85 -1.10 -5.00 118.16 123.00 1s6u n LYS 71 Ca 0.16 -2.08 -0.14 0.00 -1.05 0.00 0.00 58.31 55.20 1s6u n LYS 71 Cb 0.50 -1.14 -0.08 0.00 -0.65 0.00 0.00 35.03 33.66 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 0.01 0.74 -0.52 -1.58 -0.14 -1.24 -4.92 119.74 112.09 1s6u s LYS 72 Ca 0.25 0.76 0.05 0.00 -1.36 0.00 0.00 55.97 55.68 1s6u s LYS 72 Cb 0.29 0.36 0.19 0.00 -1.68 0.00 0.00 37.83 36.99 1s6u s LYS 72 CO -0.07 -0.11 0.46 -0.89 -0.76 0.00 0.00 175.35 173.98 1s6u n ILE 73 N 2.54 0.10 -1.54 2.17 -0.00 -1.26 -3.52 119.36 117.86 1s6u n ILE 73 Ca -0.14 -4.15 -0.38 0.00 -0.00 0.00 0.00 62.75 58.07 1s6u n ILE 73 Cb 0.56 -1.91 -0.03 0.00 -0.00 0.00 0.00 39.64 38.26 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 2.10 3.95 -1.71 0.38 4.07 -0.93 -4.93 120.64 123.57 1s6u n GLU 74 Ca 0.26 -2.61 -0.38 0.00 -0.06 0.00 0.00 57.16 54.37 1s6u n GLU 74 Cb 0.44 -2.71 0.05 0.00 -0.06 0.00 0.00 31.44 29.16 1s6u n GLU 74 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1s6u n GLY 75 N 2.87 0.50 0.90 8.31 0.00 -1.26 -4.44 105.19 112.07 1s6u n GLY 75 Ca 0.72 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.82 1s6u n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19