#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 -0.21 -5.00 1.61 0.00 -1.26 -4.85 120.64 110.93 1s6u n GLU 2 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 57.16 56.83 1s6u n GLU 2 Cb 0.00 -1.61 -0.17 0.00 0.00 0.00 0.00 31.44 29.66 1s6u n GLU 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1s6u s VAL 3 N -2.28 1.79 -0.26 3.84 -7.23 -0.12 -4.41 120.40 111.72 1s6u s VAL 3 Ca 0.52 -0.86 -0.19 0.00 -1.81 0.00 0.00 61.98 59.64 1s6u s VAL 3 Cb -0.20 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 1s6u s VAL 3 CO 0.72 0.50 0.57 -0.69 -0.31 0.00 0.00 175.10 175.89 1s6u s VAL 4 N 0.47 5.03 -0.17 1.32 1.01 -1.11 -1.47 120.40 125.47 1s6u s VAL 4 Ca -0.17 0.98 -0.08 0.00 0.00 0.00 0.00 61.98 62.71 1s6u s VAL 4 Cb -0.17 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1s6u s VAL 4 CO 0.07 0.05 0.12 -0.22 0.00 0.00 0.00 175.10 175.12 1s6u s LEU 5 N 2.41 4.19 -0.23 3.92 1.98 0.15 -0.27 118.68 130.83 1s6u s LEU 5 Ca 0.23 0.29 0.01 0.00 -2.89 0.00 0.00 54.13 51.77 1s6u s LEU 5 Cb -0.16 -2.05 0.03 0.00 0.66 0.00 0.00 46.19 44.67 1s6u s LEU 5 CO 0.09 0.26 -0.12 -0.75 -1.89 0.00 0.00 176.35 173.94 1s6u s LYS 6 N -0.15 2.72 -0.14 1.98 2.47 -1.26 -1.11 119.74 124.25 1s6u s LYS 6 Ca 0.10 -1.03 0.01 0.00 -1.56 0.00 0.00 55.97 53.49 1s6u s LYS 6 Cb -0.12 -2.82 -0.00 0.00 -1.46 0.00 0.00 37.83 33.44 1s6u s LYS 6 CO 0.00 -0.38 -0.18 0.00 0.16 0.00 0.00 175.35 174.95 1s6u s MET 7 N 1.25 3.17 0.32 4.03 0.23 -0.00 -1.63 119.30 126.67 1s6u s MET 7 Ca -0.01 -0.79 -0.28 0.00 -1.03 0.00 0.00 55.69 53.58 1s6u s MET 7 Cb -0.16 -2.53 -0.10 0.00 -1.53 0.00 0.00 34.83 30.51 1s6u s MET 7 CO -0.08 0.07 1.20 0.15 -2.03 0.00 0.00 175.02 174.34 1s6u s LYS 8 N 0.66 4.41 0.01 3.16 3.01 -0.59 -0.28 119.74 130.13 1s6u s LYS 8 Ca -0.09 2.00 0.04 0.00 -1.01 0.00 0.00 55.97 56.91 1s6u s LYS 8 Cb -0.16 -3.05 -0.02 0.00 -1.01 0.00 0.00 37.83 33.60 1s6u s LYS 8 CO 0.02 -0.06 -0.12 0.14 0.51 0.00 0.00 175.35 175.84 1s6u s VAL 9 N -1.20 0.98 0.23 3.17 -7.23 -0.12 -0.29 120.40 115.94 1s6u s VAL 9 Ca 0.49 -0.74 0.05 0.00 -1.81 0.00 0.00 61.98 59.96 1s6u s VAL 9 Cb -0.35 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 1s6u s VAL 9 CO 0.46 0.11 0.33 -1.61 -0.31 0.00 0.00 175.10 174.08 1s6u s GLU 10 N -0.72 3.39 0.00 4.82 0.41 -1.20 -4.43 118.70 120.97 1s6u s GLU 10 Ca 0.02 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 53.82 1s6u s GLU 10 Cb -0.06 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 1s6u s GLU 10 CO 0.00 0.44 0.00 0.41 -0.49 0.00 0.00 175.26 175.63 1s6u n GLY 11 N -1.23 1.62 3.56 -1.39 0.00 -1.26 -4.74 105.19 101.75 1s6u n GLY 11 Ca -0.09 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 2.46 -0.15 1.61 -1.94 -1.26 -4.75 119.30 115.27 1s6u s MET 12 Ca 0.00 1.37 0.21 0.00 -1.71 0.00 0.00 55.69 55.55 1s6u s MET 12 Cb 0.00 -4.48 0.46 0.00 2.01 0.00 0.00 34.83 32.81 1s6u s MET 12 CO 0.00 -2.88 1.16 2.41 -0.01 0.00 0.00 175.02 175.70 1s6u n THR 13 N 7.77 1.03 -3.95 2.05 -1.04 -1.26 -4.81 114.28 114.06 1s6u n THR 13 Ca 0.31 -2.33 -0.09 0.00 -2.04 0.00 0.00 64.05 59.90 1s6u n THR 13 Cb 0.52 0.67 -0.07 0.00 -1.82 0.00 0.00 70.33 69.63 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 2.59 0.00 0.50 0.00 2.76 -2.01 -3.32 115.15 115.68 1s6u h HIS 15 Ca -0.32 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.83 1s6u h HIS 15 Cb 1.22 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.18 1s6u h HIS 15 CO 0.40 0.33 -0.31 0.77 -1.30 0.00 0.00 177.93 177.82 1s6u h SER 16 N 0.00 -0.78 0.52 3.26 0.02 -1.98 -0.68 113.55 113.90 1s6u h SER 16 Ca -0.00 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1s6u h SER 16 Cb 0.86 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 1s6u h SER 16 CO 0.04 -0.49 -0.29 0.00 -1.14 0.00 0.00 176.83 174.95 1s6u h THR 18 N -0.76 0.12 -0.79 0.00 1.03 -1.68 0.24 112.91 111.07 1s6u h THR 18 Ca -0.06 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.35 1s6u h THR 18 Cb 0.60 0.12 -0.04 0.00 -1.07 0.00 0.00 68.15 67.76 1s6u h THR 18 CO 0.08 0.00 0.52 -1.28 -0.01 0.00 0.00 175.52 174.83 1s6u h SER 19 N -0.48 0.89 -0.23 0.00 0.87 -0.97 0.14 113.55 113.77 1s6u h SER 19 Ca 0.08 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1s6u h SER 19 Cb 0.63 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1s6u h SER 19 CO -0.43 0.64 0.05 0.74 -0.53 0.00 0.00 176.83 177.30 1s6u h THR 20 N 1.05 0.90 -0.05 2.23 2.02 0.03 0.15 112.91 119.23 1s6u h THR 20 Ca 0.29 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1s6u h THR 20 Cb -0.10 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1s6u h THR 20 CO -0.07 0.03 -0.00 0.40 0.37 0.00 0.00 175.52 176.24 1s6u h ILE 21 N 0.14 1.27 -0.64 3.11 2.04 -0.38 0.10 117.51 123.14 1s6u h ILE 21 Ca 0.11 -0.82 0.11 0.00 1.00 0.00 0.00 64.86 65.26 1s6u h ILE 21 Cb 0.10 1.71 -0.12 0.00 -0.74 0.00 0.00 36.82 37.77 1s6u h ILE 21 CO -0.14 0.22 -0.33 -0.33 0.00 0.00 0.00 178.15 177.58 1s6u h GLU 22 N -0.21 -0.13 0.56 2.37 5.08 -0.59 0.86 114.58 122.52 1s6u h GLU 22 Ca 0.01 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1s6u h GLU 22 Cb 0.36 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1s6u h GLU 22 CO 0.00 -0.09 -0.38 0.78 -1.00 0.00 0.00 179.01 178.33 1s6u h GLY 23 N -0.13 -0.99 0.83 -3.84 0.00 -0.51 0.16 103.07 98.59 1s6u h GLY 23 Ca 0.25 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 48.00 1s6u h GLY 23 CO -0.72 -0.35 -0.23 1.70 0.00 0.00 0.00 176.54 176.94 1s6u h LYS 24 N -0.90 -0.53 -0.21 4.80 1.63 -0.22 -2.93 116.57 118.22 1s6u h LYS 24 Ca -0.06 0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.63 1s6u h LYS 24 Cb 0.75 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1s6u h LYS 24 CO 0.04 -0.35 -0.47 0.82 -3.45 0.00 0.00 179.45 176.04 1s6u h ILE 25 N -0.55 1.31 -1.12 2.00 1.08 -0.90 -2.09 117.51 117.24 1s6u h ILE 25 Ca -0.03 -1.68 0.32 0.00 -0.39 0.00 0.00 64.86 63.08 1s6u h ILE 25 Cb 0.47 1.66 -0.05 0.00 -3.07 0.00 0.00 36.82 35.83 1s6u h ILE 25 CO 0.01 0.53 0.80 1.23 -0.69 0.00 0.00 178.15 180.02 1s6u h GLY 26 N 1.07 0.14 2.00 5.37 0.00 -0.49 -1.17 103.07 109.99 1s6u h GLY 26 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s6u h GLY 26 CO 0.09 -0.02 0.00 1.17 0.00 0.00 0.00 176.54 177.78 1s6u n LYS 27 N -4.25 0.23 -2.20 4.80 4.81 -0.79 -4.86 118.16 115.91 1s6u n LYS 27 Ca 0.24 0.33 -0.36 0.00 -0.87 0.00 0.00 58.31 57.65 1s6u n LYS 27 Cb 1.16 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 34.36 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 -4.54 3.90 -0.80 3.14 1.43 -0.45 -4.95 118.68 116.42 1s6u s LEU 28 Ca 0.07 2.31 -0.26 0.00 -1.03 0.00 0.00 54.13 55.23 1s6u s LEU 28 Cb 0.11 -4.37 0.04 0.00 0.03 0.00 0.00 46.19 42.00 1s6u s LEU 28 CO 0.49 -1.10 1.30 0.00 0.23 0.00 0.00 176.35 177.27 1s6u s GLN 29 N -2.92 3.28 0.00 1.70 -2.07 -1.26 -3.44 119.66 114.95 1s6u s GLN 29 Ca 0.68 -0.51 0.00 0.00 -1.82 0.00 0.00 55.36 53.71 1s6u s GLN 29 Cb -0.28 -4.47 0.00 0.00 -1.09 0.00 0.00 33.01 27.17 1s6u s GLN 29 CO 0.33 -2.14 0.00 0.41 -1.32 0.00 0.00 175.29 172.58 1s6u n GLY 30 N 5.73 0.39 3.82 2.60 0.00 -1.26 -4.29 105.19 112.17 1s6u n GLY 30 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 5.17 -0.19 1.61 1.01 -1.22 -0.94 120.40 125.84 1s6u s VAL 31 Ca 0.00 0.68 0.14 0.00 0.00 0.00 0.00 61.98 62.80 1s6u s VAL 31 Cb 0.00 -3.65 -0.21 0.00 0.00 0.00 0.00 36.38 32.52 1s6u s VAL 31 CO 0.00 0.54 0.02 0.00 0.00 0.00 0.00 175.10 175.66 1s6u n GLN 32 N 2.24 0.97 -3.66 2.72 10.64 -0.00 -4.97 117.38 125.31 1s6u n GLN 32 Ca -0.14 0.01 -0.10 0.00 -1.83 0.00 0.00 57.00 54.94 1s6u n GLN 32 Cb 0.53 -1.46 -0.05 0.00 -0.86 0.00 0.00 30.24 28.39 1s6u n GLN 32 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1s6u s ARG 33 N -2.44 1.03 -0.21 2.61 0.52 -0.88 -5.05 118.95 114.52 1s6u s ARG 33 Ca -0.13 -0.72 -0.22 0.00 -0.52 0.00 0.00 55.73 54.15 1s6u s ARG 33 Cb 0.06 0.45 0.06 0.00 0.52 0.00 0.00 34.95 36.04 1s6u s ARG 33 CO 0.71 -0.39 0.62 -1.50 0.02 0.00 0.00 175.30 174.75 1s6u s ILE 34 N -3.72 0.00 -0.07 1.52 2.07 -1.26 -0.45 121.20 119.29 1s6u s ILE 34 Ca 0.03 -0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.20 1s6u s ILE 34 Cb 0.02 -0.86 0.03 0.00 0.13 0.00 0.00 42.46 41.77 1s6u s ILE 34 CO -0.11 -0.01 0.18 -0.54 -1.91 0.00 0.00 174.94 172.55 1s6u s LYS 35 N 0.18 0.19 -0.26 3.50 -0.14 0.10 -4.98 119.74 118.34 1s6u s LYS 35 Ca -0.01 0.31 -0.02 0.00 -1.36 0.00 0.00 55.97 54.89 1s6u s LYS 35 Cb -0.04 0.02 0.08 0.00 -1.68 0.00 0.00 37.83 36.21 1s6u s LYS 35 CO 0.02 -0.07 0.06 0.08 -0.76 0.00 0.00 175.35 174.68 1s6u s VAL 36 N 0.46 0.73 -0.58 3.17 1.01 -1.26 0.39 120.40 124.32 1s6u s VAL 36 Ca -0.03 -1.02 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 1s6u s VAL 36 Cb -0.04 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.98 1s6u s VAL 36 CO -0.02 -0.45 1.07 -0.44 0.00 0.00 0.00 175.10 175.26 1s6u s SER 37 N 1.72 6.37 0.15 3.32 0.01 0.95 -4.93 113.70 121.29 1s6u s SER 37 Ca 0.04 -0.19 -0.15 0.00 1.31 0.00 0.00 55.95 56.97 1s6u s SER 37 Cb -0.17 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.59 1s6u s SER 37 CO -0.18 -1.38 1.73 0.17 0.41 0.00 0.00 173.24 173.99 1s6u h LEU 38 N 11.53 0.59 -0.17 2.44 -0.00 -1.87 0.13 115.31 127.96 1s6u h LEU 38 Ca -0.26 -0.12 0.05 0.00 -0.00 0.00 0.00 57.88 57.54 1s6u h LEU 38 Cb 1.06 -0.15 -0.07 0.00 -0.00 0.00 0.00 40.66 41.50 1s6u h LEU 38 CO 1.15 0.55 -0.43 0.44 -0.00 0.00 0.00 178.44 180.14 1s6u h ASP 39 N 0.59 -1.37 -0.36 0.17 5.19 -1.91 0.57 116.42 119.29 1s6u h ASP 39 Ca 0.16 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1s6u h ASP 39 Cb 0.11 0.56 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1s6u h ASP 39 CO -0.02 -0.42 0.00 -3.20 -3.12 0.00 0.00 179.24 172.48 1s6u n ASN 40 N -5.43 2.25 -3.81 6.45 2.85 -1.24 -4.94 115.26 111.38 1s6u n ASN 40 Ca -0.04 -2.08 -0.28 0.00 -0.11 0.00 0.00 54.58 52.07 1s6u n ASN 40 Cb 0.36 -0.31 0.01 0.00 1.24 0.00 0.00 39.78 41.08 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 0.56 -0.64 -4.10 1.20 6.02 0.19 -4.89 117.38 115.71 1s6u n GLN 41 Ca 0.13 0.05 -0.17 0.00 -0.01 0.00 0.00 57.00 57.00 1s6u n GLN 41 Cb 0.39 -1.40 -0.15 0.00 1.02 0.00 0.00 30.24 30.10 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 -5.93 0.45 -0.10 -1.09 2.12 0.01 -0.94 118.70 113.22 1s6u s GLU 42 Ca 0.24 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.46 1s6u s GLU 42 Cb -0.13 -0.48 -0.02 0.00 0.26 0.00 0.00 34.13 33.75 1s6u s GLU 42 CO 0.65 0.03 -0.10 0.00 -0.54 0.00 0.00 175.26 175.30 1s6u s ALA 43 N 0.28 2.79 -0.19 6.30 0.00 0.62 -0.03 121.76 131.53 1s6u s ALA 43 Ca -0.03 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 1s6u s ALA 43 Cb -0.06 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 1s6u s ALA 43 CO -0.00 0.41 -0.06 0.99 0.00 0.00 0.00 175.76 177.09 1s6u s THR 44 N -0.24 3.42 -0.16 0.00 2.01 0.16 -0.82 115.64 120.01 1s6u s THR 44 Ca 0.02 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1s6u s THR 44 Cb -0.13 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 69.90 1s6u s THR 44 CO 0.03 0.46 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.68 1s6u s ILE 45 N 0.98 1.44 -0.57 1.82 -1.09 -0.26 -0.72 121.20 122.80 1s6u s ILE 45 Ca -0.00 -0.69 -0.07 0.00 -2.23 0.00 0.00 60.65 57.66 1s6u s ILE 45 Cb -0.15 -1.45 0.15 0.00 -1.58 0.00 0.00 42.46 39.43 1s6u s ILE 45 CO 0.00 0.31 0.42 -0.69 -1.23 0.00 0.00 174.94 173.76 1s6u s VAL 46 N 1.52 4.14 0.36 2.92 1.01 0.40 -0.68 120.40 130.07 1s6u s VAL 46 Ca 0.03 -2.31 0.06 0.00 0.00 0.00 0.00 61.98 59.75 1s6u s VAL 46 Cb -0.14 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 1s6u s VAL 46 CO -0.09 -0.84 0.02 -0.72 0.00 0.00 0.00 175.10 173.47 1s6u s TYR 47 N 0.69 2.24 -0.35 5.22 1.13 -0.54 -0.82 117.35 124.91 1s6u s TYR 47 Ca 0.12 -0.79 -0.08 0.00 -1.41 0.00 0.00 57.07 54.91 1s6u s TYR 47 Cb -0.21 -1.51 0.04 0.00 -1.10 0.00 0.00 41.96 39.17 1s6u s TYR 47 CO -0.03 0.25 0.14 -1.14 -2.51 0.00 0.00 175.55 172.26 1s6u s GLN 48 N -3.79 2.67 -1.21 -3.49 0.74 -0.12 -0.95 119.66 113.52 1s6u s GLN 48 Ca 0.35 -1.16 -0.22 0.00 0.05 0.00 0.00 55.36 54.38 1s6u s GLN 48 Cb 0.09 -3.55 -0.06 0.00 1.10 0.00 0.00 33.01 30.59 1s6u s GLN 48 CO 0.17 -0.69 1.90 -0.35 -0.55 0.00 0.00 175.29 175.76 1s6u n PRO 49 N 4.87 1.93 0.00 1.67 -0.04 -1.26 -1.72 135.00 140.44 1s6u n PRO 49 Ca -0.12 -2.62 0.00 0.00 -0.04 0.00 0.00 63.50 60.71 1s6u n PRO 49 Cb 0.45 -3.67 0.00 0.00 -0.04 0.00 0.00 33.50 30.24 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 13.04 0.00 -0.00 0.54 8.25 -1.26 -5.00 115.22 130.78 1s6u n HIS 50 Ca 0.46 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.75 1s6u n HIS 50 Cb 0.46 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.44 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 0.29 -8.61 2.41 3.38 -1.66 -3.48 115.31 107.64 1s6u h LEU 51 Ca 0.00 -0.92 -0.26 0.00 0.09 0.00 0.00 57.88 56.79 1s6u h LEU 51 Cb 0.00 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 40.51 1s6u h LEU 51 CO 0.00 1.19 -0.60 -0.51 0.09 0.00 0.00 178.44 178.61 1s6u s ILE 52 N -2.55 0.00 0.12 1.22 1.10 -1.24 -4.82 121.20 115.03 1s6u s ILE 52 Ca -0.16 -1.99 0.05 0.00 -0.51 0.00 0.00 60.65 58.05 1s6u s ILE 52 Cb -0.00 -2.50 -0.04 0.00 0.15 0.00 0.00 42.46 40.07 1s6u s ILE 52 CO 0.77 0.00 -0.12 -0.94 -2.11 0.00 0.00 174.94 172.54 1s6u s SER 53 N -3.18 1.85 0.30 4.50 1.04 -1.26 -4.57 113.70 112.38 1s6u s SER 53 Ca 0.39 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 56.01 1s6u s SER 53 Cb 0.06 -0.04 0.77 0.00 0.10 0.00 0.00 66.02 66.91 1s6u s SER 53 CO 0.13 -0.21 1.67 0.58 0.98 0.00 0.00 173.24 176.40 1s6u h VAL 54 N 3.37 0.38 -0.45 5.02 2.07 -1.99 -1.00 116.25 123.65 1s6u h VAL 54 Ca -0.39 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1s6u h VAL 54 Cb 1.19 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1s6u h VAL 54 CO 0.54 0.06 0.27 -0.08 0.02 0.00 0.00 177.57 178.38 1s6u h GLU 55 N 0.30 0.60 0.42 1.57 4.22 -1.98 0.13 114.58 119.83 1s6u h GLU 55 Ca 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.96 1s6u h GLU 55 Cb 1.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1s6u h GLU 55 CO -0.59 0.43 -0.31 1.49 -2.18 0.00 0.00 179.01 177.85 1s6u h GLU 56 N 0.59 -0.69 -0.41 1.92 4.22 -1.67 0.41 114.58 118.96 1s6u h GLU 56 Ca 0.16 0.05 0.06 0.00 0.08 0.00 0.00 59.36 59.70 1s6u h GLU 56 Cb -0.02 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 1s6u h GLU 56 CO -0.03 -0.46 -0.52 0.52 -2.18 0.00 0.00 179.01 176.33 1s6u h MET 57 N -0.72 -0.37 0.12 1.92 2.86 -0.82 0.17 114.93 118.09 1s6u h MET 57 Ca -0.04 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1s6u h MET 57 Cb 0.62 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1s6u h MET 57 CO 0.00 -0.25 -0.06 -0.22 1.06 0.00 0.00 176.91 177.45 1s6u h LYS 58 N -0.38 -0.15 -0.41 1.72 3.64 -0.57 0.45 116.57 120.86 1s6u h LYS 58 Ca 0.09 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1s6u h LYS 58 Cb 0.60 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 1s6u h LYS 58 CO -0.59 -0.07 -0.04 -0.22 -2.27 0.00 0.00 179.45 176.25 1s6u h LYS 59 N -0.19 0.06 -0.17 1.90 3.11 0.43 0.81 116.57 122.52 1s6u h LYS 59 Ca -0.02 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1s6u h LYS 59 Cb 0.15 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 1s6u h LYS 59 CO 0.03 0.04 0.11 1.96 -2.81 0.00 0.00 179.45 178.77 1s6u h GLN 60 N 0.06 0.24 0.20 1.90 1.08 -0.57 -0.37 115.11 117.65 1s6u h GLN 60 Ca 0.20 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1s6u h GLN 60 Cb 0.30 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1s6u h GLN 60 CO -0.38 0.20 -0.10 0.82 -0.95 0.00 0.00 178.83 178.42 1s6u h ILE 61 N 0.21 0.00 -1.07 2.54 2.04 0.61 -3.18 117.51 118.66 1s6u h ILE 61 Ca 0.06 -0.12 0.29 0.00 1.00 0.00 0.00 64.86 66.09 1s6u h ILE 61 Cb 0.02 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.02 1s6u h ILE 61 CO -0.01 0.00 0.72 -0.33 0.00 0.00 0.00 178.15 178.53 1s6u h GLU 62 N -0.39 0.23 -0.58 2.37 5.08 0.46 0.15 114.58 121.90 1s6u h GLU 62 Ca -0.03 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1s6u h GLU 62 Cb 0.21 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1s6u h GLU 62 CO 0.05 0.16 0.40 0.00 -1.00 0.00 0.00 179.01 178.61 1s6u h ALA 63 N 1.55 2.27 -0.83 3.43 0.00 -1.04 0.13 119.26 124.77 1s6u h ALA 63 Ca 0.57 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.56 1s6u h ALA 63 Cb 1.74 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 1s6u h ALA 63 CO -0.19 -0.42 0.48 0.52 0.00 0.00 0.00 179.25 179.64 1s6u h MET 64 N 0.20 0.79 0.00 0.00 2.86 -0.70 -3.46 114.93 114.62 1s6u h MET 64 Ca 0.28 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1s6u h MET 64 Cb 0.82 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1s6u h MET 64 CO -0.05 0.53 0.00 0.41 1.06 0.00 0.00 176.91 178.86 1s6u n GLY 65 N -1.32 1.11 3.62 8.32 0.00 0.46 -5.12 105.19 112.26 1s6u n GLY 65 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 2.43 0.44 1.61 0.08 -1.25 -4.99 117.98 116.29 1s6u s PHE 66 Ca 0.00 0.73 -0.25 0.00 0.12 0.00 0.00 56.93 57.53 1s6u s PHE 66 Cb 0.00 -4.06 -0.08 0.00 -0.57 0.00 0.00 43.02 38.31 1s6u s PHE 66 CO 0.00 -2.12 1.31 -1.25 -0.10 0.00 0.00 175.22 173.06 1s6u s PRO 67 N 4.59 3.78 -0.04 0.24 0.04 -1.26 -4.05 135.00 138.31 1s6u s PRO 67 Ca 0.62 2.15 0.02 0.00 0.04 0.00 0.00 61.00 63.83 1s6u s PRO 67 Cb -0.18 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.75 1s6u s PRO 67 CO 0.28 -0.64 -0.07 0.00 0.04 0.00 0.00 177.00 176.61 1s6u s ALA 68 N -1.30 0.76 -1.01 8.56 0.00 -1.26 -3.21 121.76 124.30 1s6u s ALA 68 Ca 0.60 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.35 1s6u s ALA 68 Cb -0.38 -0.38 0.27 0.00 0.00 0.00 0.00 23.12 22.63 1s6u s ALA 68 CO 0.48 0.06 1.08 1.19 0.00 0.00 0.00 175.76 178.56 1s6u n PHE 69 N 3.72 4.12 -1.48 0.00 3.01 0.60 -4.91 117.46 122.51 1s6u n PHE 69 Ca -0.22 -3.68 -0.47 0.00 1.01 0.00 0.00 57.45 54.08 1s6u n PHE 69 Cb 0.52 -1.34 -0.07 0.00 -0.01 0.00 0.00 39.48 38.59 1s6u n PHE 69 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1s6u n VAL 70 N 2.09 0.16 -2.83 -4.37 3.14 -1.26 -1.54 118.33 113.72 1s6u n VAL 70 Ca 0.24 -0.34 -0.11 0.00 -2.96 0.00 0.00 64.34 61.17 1s6u n VAL 70 Cb 0.37 -1.84 0.06 0.00 -1.06 0.00 0.00 33.84 31.38 1s6u n VAL 70 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1s6u n LYS 71 N 8.41 1.01 -3.83 1.45 2.85 -0.65 -4.97 118.16 122.44 1s6u n LYS 71 Ca 0.41 -2.26 -0.08 0.00 -1.05 0.00 0.00 58.31 55.32 1s6u n LYS 71 Cb 0.29 -1.17 -0.03 0.00 -0.65 0.00 0.00 35.03 33.47 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 -0.36 1.60 -0.44 -1.58 2.47 -1.19 -4.89 119.74 115.35 1s6u s LYS 72 Ca 0.26 -0.98 0.08 0.00 -1.56 0.00 0.00 55.97 53.76 1s6u s LYS 72 Cb 0.31 0.56 0.29 0.00 -1.46 0.00 0.00 37.83 37.52 1s6u s LYS 72 CO -0.06 -0.71 0.86 1.51 0.16 0.00 0.00 175.35 177.11 1s6u n ILE 73 N -0.41 -0.17 -1.45 5.43 0.13 -1.26 -4.36 119.36 117.27 1s6u n ILE 73 Ca -0.06 -2.57 -0.39 0.00 -1.10 0.00 0.00 62.75 58.64 1s6u n ILE 73 Cb 0.61 0.50 -0.03 0.00 -0.84 0.00 0.00 39.64 39.88 1s6u n ILE 73 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1s6u n GLU 74 N 0.95 3.86 -4.19 9.51 4.07 0.63 -4.85 120.64 130.63 1s6u n GLU 74 Ca 0.13 -2.44 -0.32 0.00 -0.06 0.00 0.00 57.16 54.47 1s6u n GLU 74 Cb 0.64 -2.75 -0.08 0.00 -0.06 0.00 0.00 31.44 29.19 1s6u n GLU 74 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1s6u s GLY 75 N 1.78 1.93 0.00 8.31 0.00 -1.26 -2.76 107.32 115.32 1s6u s GLY 75 Ca 0.67 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1s6u s GLY 75 CO -0.07 -0.91 0.00 -2.13 0.00 0.00 0.00 173.10 170.00