#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqk s VAL 2 N 0.00 5.14 0.02 6.31 1.01 -1.26 -4.02 120.40 127.59 2qqk s VAL 2 Ca 0.00 0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.84 2qqk s VAL 2 Cb 0.00 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 2qqk s VAL 2 CO 0.00 0.44 -0.07 -1.58 0.00 0.00 0.00 175.10 173.89 2qqk s GLN 3 N -0.10 0.53 -0.06 2.72 0.74 -0.35 -5.01 119.66 118.13 2qqk s GLN 3 Ca 0.23 -0.46 -0.01 0.00 0.05 0.00 0.00 55.36 55.17 2qqk s GLN 3 Cb -0.15 -0.44 0.03 0.00 1.10 0.00 0.00 33.01 33.55 2qqk s GLN 3 CO 0.10 0.11 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.43 2qqk s LEU 4 N -0.77 0.84 -0.19 3.68 1.02 -1.26 -1.80 118.68 120.19 2qqk s LEU 4 Ca -0.02 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.03 2qqk s LEU 4 Cb -0.06 -0.43 0.04 0.00 0.02 0.00 0.00 46.19 45.76 2qqk s LEU 4 CO 0.00 -0.15 -0.09 -0.69 0.02 0.00 0.00 176.35 175.45 2qqk s VAL 5 N 1.62 1.48 0.34 -1.59 1.01 -0.96 -4.15 120.40 118.15 2qqk s VAL 5 Ca -0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 2qqk s VAL 5 Cb -0.13 -1.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 2qqk s VAL 5 CO -0.04 0.14 0.77 -1.61 0.00 0.00 0.00 175.10 174.36 2qqk s GLU 6 N 1.46 4.03 0.15 2.72 8.01 -1.26 -1.43 118.70 132.39 2qqk s GLU 6 Ca -0.01 0.73 -0.18 0.00 0.01 0.00 0.00 54.97 55.52 2qqk s GLU 6 Cb -0.16 -2.39 0.04 0.00 -4.31 0.00 0.00 34.13 27.31 2qqk s GLU 6 CO -0.08 0.13 0.48 -1.54 0.01 0.00 0.00 175.26 174.26 2qqk s SER 7 N -2.27 -0.33 0.00 -0.19 1.04 0.37 -4.82 113.70 107.50 2qqk s SER 7 Ca 0.55 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2qqk s SER 7 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2qqk s SER 7 CO 0.17 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2qqk n GLY 8 N -0.29 2.01 3.75 7.32 0.00 -1.26 0.19 105.19 116.90 2qqk n GLY 8 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 2qqk n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qqk s GLY 9 N -2.14 2.77 0.00 -0.02 0.00 -1.26 -4.67 107.32 101.99 2qqk s GLY 9 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.77 2qqk s GLY 9 CO 0.00 1.45 0.00 0.61 0.00 0.00 0.00 173.10 175.16 2qqk n GLY 10 N 0.58 -0.73 3.77 0.20 0.00 -1.01 -4.90 105.19 103.10 2qqk n GLY 10 Ca 0.14 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 2qqk n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qqk s LEU 11 N 0.00 4.59 -0.20 0.99 2.96 -1.26 -1.38 118.68 124.38 2qqk s LEU 11 Ca 0.00 1.70 -0.10 0.00 -0.22 0.00 0.00 54.13 55.51 2qqk s LEU 11 Cb 0.00 -3.39 0.07 0.00 0.50 0.00 0.00 46.19 43.37 2qqk s LEU 11 CO 0.00 0.19 0.47 0.54 -1.32 0.00 0.00 176.35 176.23 2qqk s VAL 12 N -1.18 -0.09 0.56 1.68 0.11 -0.63 -4.95 120.40 115.89 2qqk s VAL 12 Ca 0.37 0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 59.29 2qqk s VAL 12 Cb -0.23 -0.70 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 2qqk s VAL 12 CO 0.27 0.03 1.35 0.00 -3.33 0.00 0.00 175.10 173.43 2qqk n GLN 13 N 4.39 1.65 -1.71 1.54 1.13 -1.25 -2.43 117.38 120.69 2qqk n GLN 13 Ca -0.21 0.61 -0.43 0.00 -1.94 0.00 0.00 57.00 55.03 2qqk n GLN 13 Cb 0.55 -2.57 -0.03 0.00 0.11 0.00 0.00 30.24 28.30 2qqk n GLN 13 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2qqk n PRO 14 N -1.09 2.55 0.00 -1.09 -0.02 -1.26 -1.37 135.00 132.72 2qqk n PRO 14 Ca 0.11 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 2qqk n PRO 14 Cb 0.45 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 2qqk n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qqk n GLY 15 N 2.89 3.05 1.97 -1.23 0.00 0.18 -4.95 105.19 107.10 2qqk n GLY 15 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 2qqk n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqk n GLY 16 N -0.42 -2.73 3.29 -0.02 0.00 -0.47 -3.43 105.19 101.41 2qqk n GLY 16 Ca 0.00 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 2qqk n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qqk s SER 17 N -3.13 2.29 -0.01 1.61 0.01 -1.26 -2.89 113.70 110.33 2qqk s SER 17 Ca 0.40 -0.89 -0.23 0.00 1.31 0.00 0.00 55.95 56.55 2qqk s SER 17 Cb -0.04 -0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.13 2qqk s SER 17 CO 0.31 -0.13 0.50 -0.22 0.41 0.00 0.00 173.24 174.11 2qqk s LEU 18 N -2.75 0.03 -0.18 2.44 2.96 -0.82 -4.99 118.68 115.38 2qqk s LEU 18 Ca 0.14 0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2qqk s LEU 18 Cb -0.04 1.99 0.05 0.00 0.50 0.00 0.00 46.19 48.69 2qqk s LEU 18 CO 0.05 -0.60 -0.02 -0.60 -1.32 0.00 0.00 176.35 173.86 2qqk s ARG 19 N -1.68 1.15 0.24 1.98 3.52 -1.26 -0.75 118.95 122.15 2qqk s ARG 19 Ca -0.10 -0.52 -0.06 0.00 -0.13 0.00 0.00 55.73 54.92 2qqk s ARG 19 Cb -0.02 -2.07 -0.06 0.00 -1.56 0.00 0.00 34.95 31.25 2qqk s ARG 19 CO 0.04 -0.52 0.51 -0.51 -0.81 0.00 0.00 175.30 174.01 2qqk s LEU 20 N 1.69 4.13 0.01 -0.88 1.43 -1.00 -4.52 118.68 119.54 2qqk s LEU 20 Ca -0.01 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2qqk s LEU 20 Cb -0.16 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2qqk s LEU 20 CO -0.07 -0.11 -0.07 -0.44 0.23 0.00 0.00 176.35 175.88 2qqk s SER 21 N -2.85 0.83 -0.41 2.29 0.01 0.13 -1.24 113.70 112.46 2qqk s SER 21 Ca 0.44 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.43 2qqk s SER 21 Cb -0.11 -0.04 0.12 0.00 0.21 0.00 0.00 66.02 66.20 2qqk s SER 21 CO 0.27 -0.02 0.19 0.00 0.41 0.00 0.00 173.24 174.09 2qqk s ALA 23 N 0.60 3.20 0.06 0.00 0.00 -0.51 -2.07 121.76 123.05 2qqk s ALA 23 Ca 0.15 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 2qqk s ALA 23 Cb -0.23 -3.88 -0.05 0.00 0.00 0.00 0.00 23.12 18.96 2qqk s ALA 23 CO -0.06 -2.07 0.92 0.00 0.00 0.00 0.00 175.76 174.55 2qqk s ALA 24 N 5.51 3.25 0.07 0.00 0.00 -0.85 -2.27 121.76 127.47 2qqk s ALA 24 Ca 0.73 0.49 0.08 0.00 0.00 0.00 0.00 51.96 53.26 2qqk s ALA 24 Cb -0.25 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2qqk s ALA 24 CO 0.30 -0.06 -0.21 -1.12 0.00 0.00 0.00 175.76 174.67 2qqk s SER 25 N 0.28 2.50 0.00 0.00 0.01 -0.75 -4.83 113.70 110.92 2qqk s SER 25 Ca 0.46 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2qqk s SER 25 Cb -0.22 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.84 2qqk s SER 25 CO 0.28 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.64 2qqk n GLY 26 N 1.47 3.06 3.27 3.44 0.00 -1.26 -1.21 105.19 113.96 2qqk n GLY 26 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 2qqk n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qqk s PHE 27 N -2.54 0.96 -0.34 1.61 -0.71 -1.26 -4.88 117.98 110.82 2qqk s PHE 27 Ca 0.00 -1.23 -0.11 0.00 -1.04 0.00 0.00 56.93 54.56 2qqk s PHE 27 Cb 0.00 -0.40 0.01 0.00 -1.21 0.00 0.00 43.02 41.42 2qqk s PHE 27 CO 0.00 -0.70 0.19 0.95 -1.34 0.00 0.00 175.22 174.32 2qqk s THR 28 N -4.12 4.68 0.53 -4.49 -4.23 -1.26 -4.96 115.64 101.79 2qqk s THR 28 Ca 0.34 -0.58 0.31 0.00 -1.18 0.00 0.00 61.69 60.58 2qqk s THR 28 Cb 0.06 -3.49 0.35 0.00 1.34 0.00 0.00 72.50 70.76 2qqk s THR 28 CO 0.10 -0.07 2.20 0.16 -0.54 0.00 0.00 174.62 176.47 2qqk h ILE 29 N 5.73 0.46 -4.11 2.99 3.07 -1.92 -3.41 117.51 120.32 2qqk h ILE 29 Ca -0.29 -0.20 -0.53 0.00 1.55 0.00 0.00 64.86 65.39 2qqk h ILE 29 Cb 1.13 1.13 0.12 0.00 -0.27 0.00 0.00 36.82 38.93 2qqk h ILE 29 CO 0.64 0.04 0.47 -0.94 -1.05 0.00 0.00 178.15 177.31 2qqk s SER 30 N -6.01 5.06 -0.42 2.16 1.04 -1.26 -1.83 113.70 112.44 2qqk s SER 30 Ca -0.04 2.41 0.00 0.00 0.48 0.00 0.00 55.95 58.80 2qqk s SER 30 Cb 0.14 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2qqk s SER 30 CO 0.54 -1.68 0.00 0.61 0.98 0.00 0.00 173.24 173.69 2qqk n GLY 31 N 0.52 0.63 3.41 7.32 0.00 -1.26 -4.93 105.19 110.87 2qqk n GLY 31 Ca 0.14 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 2qqk n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qqk s TYR 32 N -1.90 1.72 -0.11 1.61 1.51 -0.76 -4.85 117.35 114.57 2qqk s TYR 32 Ca 0.00 -1.23 -0.03 0.00 -1.01 0.00 0.00 57.07 54.80 2qqk s TYR 32 Cb 0.00 -1.04 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 2qqk s TYR 32 CO 0.00 -0.32 0.00 0.20 -1.11 0.00 0.00 175.55 174.32 2qqk s GLY 33 N -3.45 1.84 -0.17 0.71 0.00 -0.28 -4.16 107.32 101.80 2qqk s GLY 33 Ca 0.33 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.25 2qqk s GLY 33 CO 0.16 -0.43 -0.17 -0.42 0.00 0.00 0.00 173.10 172.24 2qqk s ILE 34 N -0.57 2.42 0.04 0.90 -1.09 -0.27 -0.67 121.20 121.97 2qqk s ILE 34 Ca 0.10 -0.83 0.04 0.00 -2.23 0.00 0.00 60.65 57.73 2qqk s ILE 34 Cb -0.12 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 2qqk s ILE 34 CO 0.02 0.52 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.20 2qqk s HIS 35 N 1.11 2.90 -0.14 3.97 3.76 -0.23 -1.33 115.29 125.34 2qqk s HIS 35 Ca 0.00 -0.05 -0.06 0.00 -0.15 0.00 0.00 55.06 54.81 2qqk s HIS 35 Cb -0.14 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 2qqk s HIS 35 CO -0.06 0.42 0.06 -1.58 -0.85 0.00 0.00 174.74 172.73 2qqk s TRP 36 N -1.12 3.32 -0.03 1.40 0.52 -0.07 -1.48 118.94 121.48 2qqk s TRP 36 Ca 0.20 0.24 0.01 0.00 0.02 0.00 0.00 56.10 56.57 2qqk s TRP 36 Cb -0.11 -1.95 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 2qqk s TRP 36 CO 0.12 0.41 -0.04 0.08 0.02 0.00 0.00 176.95 177.53 2qqk s VAL 37 N -0.40 0.47 0.28 4.03 1.01 0.58 -1.46 120.40 124.90 2qqk s VAL 37 Ca 0.09 -0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.04 2qqk s VAL 37 Cb -0.12 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 2qqk s VAL 37 CO 0.02 0.18 -0.16 0.00 0.00 0.00 0.00 175.10 175.14 2qqk s ARG 38 N 0.59 1.65 -0.22 2.72 1.70 0.09 0.37 118.95 125.85 2qqk s ARG 38 Ca -0.07 -1.78 -0.03 0.00 -0.47 0.00 0.00 55.73 53.37 2qqk s ARG 38 Cb -0.11 -1.61 0.10 0.00 -0.57 0.00 0.00 34.95 32.76 2qqk s ARG 38 CO -0.00 0.24 0.21 -1.14 -1.08 0.00 0.00 175.30 173.54 2qqk s GLN 39 N -3.57 0.20 0.50 3.89 0.74 -0.14 -0.31 119.66 120.97 2qqk s GLN 39 Ca 0.29 0.05 -0.22 0.00 0.05 0.00 0.00 55.36 55.53 2qqk s GLN 39 Cb -0.02 -1.17 -0.06 0.00 1.10 0.00 0.00 33.01 32.86 2qqk s GLN 39 CO 0.14 -0.75 1.24 0.00 -0.55 0.00 0.00 175.29 175.37 2qqk s ALA 40 N 2.29 2.88 0.04 1.58 0.00 -1.26 -1.22 121.76 126.08 2qqk s ALA 40 Ca 0.07 1.09 -0.35 0.00 0.00 0.00 0.00 51.96 52.77 2qqk s ALA 40 Cb -0.15 -3.46 -0.14 0.00 0.00 0.00 0.00 23.12 19.37 2qqk s ALA 40 CO -0.18 -0.97 1.66 -2.30 0.00 0.00 0.00 175.76 173.98 2qqk n PRO 41 N -0.78 1.95 -0.90 0.00 -0.02 -1.26 -0.83 135.00 133.17 2qqk n PRO 41 Ca 0.09 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2qqk n PRO 41 Cb 0.47 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2qqk n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qqk n GLY 42 N 3.68 0.73 0.00 -1.23 0.00 -1.26 -4.99 105.19 102.12 2qqk n GLY 42 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2qqk n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qqk n LYS 43 N -2.01 2.04 -1.65 1.61 5.02 -0.01 -5.16 118.16 118.01 2qqk n LYS 43 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 2qqk n LYS 43 Cb 0.01 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.06 2qqk n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qqk n GLY 44 N 5.00 1.37 3.74 0.72 0.00 -1.26 -4.63 105.19 110.12 2qqk n GLY 44 Ca 0.00 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 2qqk n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qqk s LEU 45 N 0.00 4.50 -0.10 0.99 1.43 -1.26 -4.14 118.68 120.09 2qqk s LEU 45 Ca 0.27 1.67 -0.00 0.00 -1.03 0.00 0.00 54.13 55.04 2qqk s LEU 45 Cb -0.02 -3.44 0.02 0.00 0.03 0.00 0.00 46.19 42.78 2qqk s LEU 45 CO 0.17 -0.00 -0.06 -0.70 0.23 0.00 0.00 176.35 175.99 2qqk s GLU 46 N -0.18 1.33 0.34 1.70 2.12 0.58 -4.99 118.70 119.62 2qqk s GLU 46 Ca 0.43 -0.19 -0.27 0.00 0.36 0.00 0.00 54.97 55.29 2qqk s GLU 46 Cb -0.22 -1.42 -0.09 0.00 0.26 0.00 0.00 34.13 32.65 2qqk s GLU 46 CO 0.27 -0.24 1.17 -0.46 -0.54 0.00 0.00 175.26 175.46 2qqk s TRP 47 N 1.64 3.25 0.10 5.30 -0.00 -1.26 -0.73 118.94 127.23 2qqk s TRP 47 Ca 0.03 1.58 0.00 0.00 -0.00 0.00 0.00 56.10 57.70 2qqk s TRP 47 Cb -0.13 -3.41 0.00 0.00 -0.00 0.00 0.00 33.47 29.93 2qqk s TRP 47 CO -0.06 -1.14 0.00 0.28 -0.00 0.00 0.00 176.95 176.02 2qqk n VAL 48 N 0.61 1.09 -3.83 5.86 0.31 -0.54 -4.65 118.33 117.18 2qqk n VAL 48 Ca 0.01 0.36 -0.08 0.00 -0.01 0.00 0.00 64.34 64.63 2qqk n VAL 48 Cb 0.45 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.81 2qqk n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qqk s ALA 49 N -2.00 -1.12 0.21 3.52 0.00 -1.21 -0.50 121.76 120.66 2qqk s ALA 49 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 2qqk s ALA 49 Cb 0.00 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 2qqk s ALA 49 CO 0.00 -0.98 0.34 1.52 0.00 0.00 0.00 175.76 176.64 2qqk s TYR 50 N -3.91 0.51 -0.17 0.00 -0.85 -0.87 -0.89 117.35 111.16 2qqk s TYR 50 Ca 0.11 -0.85 -0.13 0.00 -0.52 0.00 0.00 57.07 55.68 2qqk s TYR 50 Cb -0.05 -0.04 0.05 0.00 0.38 0.00 0.00 41.96 42.30 2qqk s TYR 50 CO 0.05 -0.82 0.44 -1.50 -1.52 0.00 0.00 175.55 172.20 2qqk s ILE 51 N -4.02 -0.01 -0.60 -3.49 2.07 -0.44 -2.53 121.20 112.17 2qqk s ILE 51 Ca 0.23 0.03 -0.09 0.00 -1.41 0.00 0.00 60.65 59.42 2qqk s ILE 51 Cb 0.02 -0.63 0.16 0.00 0.13 0.00 0.00 42.46 42.14 2qqk s ILE 51 CO 0.06 0.01 0.48 -0.31 -1.91 0.00 0.00 174.94 173.27 2qqk s TYR 52 N 0.72 3.50 0.25 3.50 1.51 -0.43 -1.12 117.35 125.29 2qqk s TYR 52 Ca -0.04 -2.13 -0.03 0.00 -1.01 0.00 0.00 57.07 53.86 2qqk s TYR 52 Cb -0.05 -3.50 0.51 0.00 -0.11 0.00 0.00 41.96 38.81 2qqk s TYR 52 CO -0.05 -0.95 1.69 -1.35 -1.11 0.00 0.00 175.55 173.78 2qqk h PRO 52 N 7.90 0.30 -0.39 -1.71 0.11 -1.83 0.32 132.00 136.70 2qqk h PRO 52 Ca -0.08 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.09 2qqk h PRO 52 Cb 1.03 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 31.98 2qqk h PRO 52 CO 0.80 0.20 -0.32 -0.44 -0.21 0.00 0.00 178.00 178.03 2qqk h ASP 53 N 0.31 -1.06 0.77 -2.05 3.32 -1.89 -2.99 116.42 112.83 2qqk h ASP 53 Ca 0.44 0.19 -0.24 0.00 0.02 0.00 0.00 57.03 57.44 2qqk h ASP 53 Cb 0.76 0.50 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 2qqk h ASP 53 CO -0.50 -0.32 -1.33 0.77 -1.72 0.00 0.00 179.24 176.13 2qqk h SER 54 N -0.25 0.00 0.00 6.45 4.64 -1.79 -3.48 113.55 119.12 2qqk h SER 54 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2qqk h SER 54 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2qqk h SER 54 CO -0.53 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 2qqk n GLY 55 N 1.44 0.71 3.68 -0.77 0.00 0.11 -5.03 105.19 105.33 2qqk n GLY 55 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2qqk n GLY 55 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qqk s TYR 56 N -2.01 3.46 0.10 1.61 5.04 -1.19 -4.83 117.35 119.52 2qqk s TYR 56 Ca 0.00 1.45 0.04 0.00 -2.44 0.00 0.00 57.07 56.12 2qqk s TYR 56 Cb 0.00 -3.13 -0.04 0.00 0.35 0.00 0.00 41.96 39.14 2qqk s TYR 56 CO 0.00 -0.26 -0.10 0.95 -1.34 0.00 0.00 175.55 174.80 2qqk s THR 57 N 2.19 0.95 0.24 4.34 -4.23 -1.26 -1.31 115.64 116.57 2qqk s THR 57 Ca 0.44 -1.69 -0.16 0.00 -1.18 0.00 0.00 61.69 59.10 2qqk s THR 57 Cb -0.17 -1.41 0.01 0.00 1.34 0.00 0.00 72.50 72.27 2qqk s THR 57 CO 0.14 -0.59 0.56 -0.62 -0.54 0.00 0.00 174.62 173.57 2qqk s ASP 58 N -2.53 -0.19 -0.00 3.99 -1.08 -1.05 -4.99 116.67 110.82 2qqk s ASP 58 Ca 0.07 -0.70 -0.05 0.00 -0.52 0.00 0.00 52.55 51.34 2qqk s ASP 58 Cb -0.02 0.62 -0.00 0.00 -1.46 0.00 0.00 42.92 42.06 2qqk s ASP 58 CO -0.00 -1.17 0.10 -0.31 0.52 0.00 0.00 175.17 174.30 2qqk s TYR 59 N -3.95 0.06 0.32 -5.34 1.51 -1.26 -2.06 117.35 106.63 2qqk s TYR 59 Ca 0.15 -0.14 -0.29 0.00 -1.01 0.00 0.00 57.07 55.79 2qqk s TYR 59 Cb -0.02 -0.06 -0.10 0.00 -0.11 0.00 0.00 41.96 41.67 2qqk s TYR 59 CO 0.05 -0.22 1.24 0.00 -1.11 0.00 0.00 175.55 175.50 2qqk s ALA 60 N -1.13 3.45 0.41 3.71 0.00 0.35 -4.77 121.76 123.78 2qqk s ALA 60 Ca -0.12 1.14 0.19 0.00 0.00 0.00 0.00 51.96 53.17 2qqk s ALA 60 Cb -0.07 -3.43 1.13 0.00 0.00 0.00 0.00 23.12 20.75 2qqk s ALA 60 CO 0.01 -0.50 1.80 -0.44 0.00 0.00 0.00 175.76 176.63 2qqk h ASP 61 N 3.45 0.40 0.61 0.00 3.32 -1.93 0.50 116.42 122.77 2qqk h ASP 61 Ca -0.48 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2qqk h ASP 61 Cb 1.22 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2qqk h ASP 61 CO 0.66 0.11 0.00 0.77 -1.72 0.00 0.00 179.24 179.05 2qqk h SER 62 N 0.37 0.00 0.00 6.45 4.64 -1.96 -3.24 113.55 119.81 2qqk h SER 62 Ca 0.55 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.86 2qqk h SER 62 Cb 1.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.53 2qqk h SER 62 CO -0.23 0.00 -1.13 1.33 -0.87 0.00 0.00 176.83 175.93 2qqk n VAL 63 N -2.97 0.02 -1.62 0.95 0.24 -0.29 -4.98 118.33 109.69 2qqk n VAL 63 Ca -0.01 -0.07 -0.48 0.00 -2.04 0.00 0.00 64.34 61.75 2qqk n VAL 63 Cb 0.21 0.28 -0.04 0.00 -1.47 0.00 0.00 33.84 32.82 2qqk n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2qqk n LYS 64 N -1.65 1.54 0.00 7.34 4.81 0.01 -0.02 118.16 130.19 2qqk n LYS 64 Ca -0.01 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 2qqk n LYS 64 Cb 0.13 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.01 2qqk n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qqk n GLY 65 N 2.43 3.02 0.09 3.14 0.00 -1.26 -4.83 105.19 107.77 2qqk n GLY 65 Ca 0.15 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 2qqk n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qqk n ARG 66 N 0.00 0.66 -4.41 1.61 1.74 0.97 -4.93 116.66 112.30 2qqk n ARG 66 Ca 0.00 0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 56.89 2qqk n ARG 66 Cb 0.00 -1.65 -0.10 0.00 -1.02 0.00 0.00 32.46 29.69 2qqk n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qqk s PHE 67 N -2.60 2.88 -0.07 -1.55 0.40 -0.93 -1.22 117.98 114.89 2qqk s PHE 67 Ca -0.07 -0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 2qqk s PHE 67 Cb 0.07 -1.59 0.01 0.00 0.51 0.00 0.00 43.02 42.03 2qqk s PHE 67 CO 0.83 0.39 -0.15 0.99 0.70 0.00 0.00 175.22 177.98 2qqk s THR 68 N -1.04 1.33 0.10 0.64 2.01 -0.09 -4.85 115.64 113.74 2qqk s THR 68 Ca 0.18 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 2qqk s THR 68 Cb -0.11 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 2qqk s THR 68 CO 0.09 0.40 0.35 -0.51 -0.69 0.00 0.00 174.62 174.25 2qqk s ILE 69 N 0.62 5.20 0.17 1.82 2.07 -1.26 -1.83 121.20 127.99 2qqk s ILE 69 Ca -0.15 0.09 -0.15 0.00 -1.41 0.00 0.00 60.65 59.03 2qqk s ILE 69 Cb -0.16 -3.62 0.02 0.00 0.13 0.00 0.00 42.46 38.83 2qqk s ILE 69 CO 0.04 0.15 0.44 -0.94 -1.91 0.00 0.00 174.94 172.73 2qqk s SER 70 N -2.19 -0.19 0.05 4.50 1.04 -0.85 -5.00 113.70 111.06 2qqk s SER 70 Ca 0.37 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 56.31 2qqk s SER 70 Cb -0.13 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 2qqk s SER 70 CO 0.22 -0.97 -0.10 0.00 0.98 0.00 0.00 173.24 173.37 2qqk s ALA 71 N -3.88 0.81 -0.38 5.32 0.00 -1.26 0.09 121.76 122.47 2qqk s ALA 71 Ca 0.09 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2qqk s ALA 71 Cb 0.01 -0.03 0.11 0.00 0.00 0.00 0.00 23.12 23.21 2qqk s ALA 71 CO -0.04 0.07 0.15 0.34 0.00 0.00 0.00 175.76 176.27 2qqk s ASP 72 N -1.49 4.08 0.44 0.00 -1.08 -0.79 -5.00 116.67 112.82 2qqk s ASP 72 Ca -0.06 -2.18 0.21 0.00 -0.52 0.00 0.00 52.55 50.00 2qqk s ASP 72 Cb -0.09 -1.14 1.00 0.00 -1.46 0.00 0.00 42.92 41.23 2qqk s ASP 72 CO 0.01 -0.34 1.90 0.71 0.52 0.00 0.00 175.17 177.96 2qqk h THR 73 N 6.03 0.84 -0.73 1.71 1.35 -1.95 0.54 112.91 120.70 2qqk h THR 73 Ca -0.07 -1.03 -0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2qqk h THR 73 Cb 0.98 1.62 -0.04 0.00 -1.73 0.00 0.00 68.15 68.98 2qqk h THR 73 CO 0.50 0.25 0.44 0.77 -0.25 0.00 0.00 175.52 177.23 2qqk h SER 74 N 0.00 0.88 0.03 5.36 4.64 -1.95 -0.96 113.55 121.56 2qqk h SER 74 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2qqk h SER 74 Cb 0.60 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2qqk h SER 74 CO 0.03 0.69 -0.04 0.29 -0.87 0.00 0.00 176.83 176.93 2qqk n LYS 75 N -4.51 1.48 -2.98 4.77 5.02 -0.90 -4.95 118.16 116.09 2qqk n LYS 75 Ca 0.07 -0.82 -0.20 0.00 -2.02 0.00 0.00 58.31 55.34 2qqk n LYS 75 Cb 0.06 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.59 2qqk n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2qqk n ASN 76 N -0.05 -4.53 -4.47 4.39 5.15 0.13 -4.81 115.26 111.08 2qqk n ASN 76 Ca 0.18 -0.19 -0.24 0.00 -0.60 0.00 0.00 54.58 53.73 2qqk n ASN 76 Cb 0.34 -3.74 -0.10 0.00 -0.53 0.00 0.00 39.78 35.75 2qqk n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2qqk s THR 77 N -2.92 2.52 0.15 -0.44 2.01 -1.08 -2.01 115.64 113.87 2qqk s THR 77 Ca 0.25 -2.32 0.06 0.00 0.31 0.00 0.00 61.69 59.99 2qqk s THR 77 Cb -0.12 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 2qqk s THR 77 CO 0.31 -0.35 -0.13 0.00 -0.69 0.00 0.00 174.62 173.76 2qqk s ALA 78 N -2.36 1.59 0.10 7.40 0.00 -0.88 -1.89 121.76 125.73 2qqk s ALA 78 Ca 0.29 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.86 2qqk s ALA 78 Cb -0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2qqk s ALA 78 CO 0.14 0.03 -0.13 0.71 0.00 0.00 0.00 175.76 176.52 2qqk s TYR 79 N -2.67 1.24 -0.42 0.00 2.02 0.11 -0.75 117.35 116.88 2qqk s TYR 79 Ca 0.14 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2qqk s TYR 79 Cb -0.02 -0.67 0.14 0.00 -0.40 0.00 0.00 41.96 41.01 2qqk s TYR 79 CO 0.03 0.08 0.25 -1.17 -1.57 0.00 0.00 175.55 173.16 2qqk s LEU 80 N -2.31 2.24 -0.03 -1.29 2.96 -0.37 -2.01 118.68 117.86 2qqk s LEU 80 Ca 0.06 -2.58 -0.30 0.00 -0.22 0.00 0.00 54.13 51.08 2qqk s LEU 80 Cb -0.05 -0.85 -0.05 0.00 0.50 0.00 0.00 46.19 45.74 2qqk s LEU 80 CO 0.02 -0.27 1.36 -1.58 -1.32 0.00 0.00 176.35 174.57 2qqk s GLN 81 N 0.46 4.28 -0.09 1.98 2.00 -0.76 -2.38 119.66 125.15 2qqk s GLN 81 Ca 0.19 1.89 0.02 0.00 -2.00 0.00 0.00 55.36 55.46 2qqk s GLN 81 Cb -0.21 -3.62 -0.02 0.00 0.80 0.00 0.00 33.01 29.96 2qqk s GLN 81 CO -0.01 -0.58 -0.13 -1.64 -0.50 0.00 0.00 175.29 172.42 2qqk s MET 82 N 2.59 2.91 0.27 1.67 -1.94 0.07 -0.92 119.30 123.96 2qqk s MET 82 Ca 0.62 -0.69 0.03 0.00 -1.71 0.00 0.00 55.69 53.95 2qqk s MET 82 Cb -0.29 -2.50 -0.06 0.00 2.01 0.00 0.00 34.83 33.99 2qqk s MET 82 CO 0.24 0.44 0.03 -0.80 -0.01 0.00 0.00 175.02 174.93 2qqk s ASN 82 N -0.24 1.90 -1.65 3.03 0.01 -0.36 -1.94 114.94 115.70 2qqk s ASN 82 Ca 0.01 -1.30 -0.14 0.00 -0.71 0.00 0.00 52.86 50.72 2qqk s ASN 82 Cb -0.13 0.01 0.12 0.00 0.41 0.00 0.00 41.25 41.66 2qqk s ASN 82 CO 0.03 -0.58 0.66 -1.20 -1.51 0.00 0.00 177.10 174.50 2qqk n SER 82 N -0.52 -2.40 -4.73 -1.22 7.64 -1.17 -4.78 113.62 106.45 2qqk n SER 82 Ca -0.03 -1.04 -0.36 0.00 1.01 0.00 0.00 58.87 58.45 2qqk n SER 82 Cb 0.65 -2.69 0.07 0.00 -1.01 0.00 0.00 64.21 61.24 2qqk n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qqk s LEU 82 N -7.22 3.49 0.28 -3.43 1.43 -1.14 -4.65 118.68 107.45 2qqk s LEU 82 Ca 0.56 2.46 0.01 0.00 -1.03 0.00 0.00 54.13 56.13 2qqk s LEU 82 Cb -0.31 -4.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.28 2qqk s LEU 82 CO 0.93 -2.02 0.28 0.00 0.23 0.00 0.00 176.35 175.77 2qqk s ARG 83 N -3.59 1.58 0.40 1.70 1.70 -1.26 -0.64 118.95 118.84 2qqk s ARG 83 Ca 0.78 -1.78 0.12 0.00 -0.47 0.00 0.00 55.73 54.38 2qqk s ARG 83 Cb -0.32 0.34 0.94 0.00 -0.57 0.00 0.00 34.95 35.33 2qqk s ARG 83 CO 0.40 -0.59 1.92 0.00 -1.08 0.00 0.00 175.30 175.95 2qqk h ALA 84 N 2.30 1.97 0.00 7.88 0.00 -1.97 0.98 119.26 130.41 2qqk h ALA 84 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qqk h ALA 84 Cb 1.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2qqk h ALA 84 CO 0.42 -0.16 0.00 -0.85 0.00 0.00 0.00 179.25 178.66 2qqk n GLU 85 N -4.50 0.21 0.06 0.00 0.28 -1.26 -1.40 120.64 114.04 2qqk n GLU 85 Ca 0.14 0.12 0.12 0.00 -0.16 0.00 0.00 57.16 57.39 2qqk n GLU 85 Cb 0.46 -1.50 0.29 0.00 1.43 0.00 0.00 31.44 32.11 2qqk n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2qqk n ASP 86 N -1.34 0.65 -4.67 -1.84 8.00 0.34 -4.85 116.55 112.84 2qqk n ASP 86 Ca 0.08 0.25 -0.47 0.00 0.71 0.00 0.00 54.79 55.36 2qqk n ASP 86 Cb 0.17 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2qqk n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2qqk n THR 87 N -2.04 0.24 0.00 -3.53 -1.04 -0.49 -4.90 114.28 102.53 2qqk n THR 87 Ca 0.05 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2qqk n THR 87 Cb 0.42 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 2qqk n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qqk n ALA 88 N 4.72 0.00 -2.68 2.41 0.00 -0.69 -4.44 120.51 119.83 2qqk n ALA 88 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 2qqk n ALA 88 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 2qqk n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qqk s VAL 89 N -2.00 4.89 -0.18 0.00 1.01 -0.36 -1.11 120.40 122.65 2qqk s VAL 89 Ca 0.00 1.70 -0.09 0.00 0.00 0.00 0.00 61.98 63.59 2qqk s VAL 89 Cb 0.00 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2qqk s VAL 89 CO 0.00 0.07 0.10 -0.31 0.00 0.00 0.00 175.10 174.96 2qqk s TYR 90 N 1.80 3.36 -0.02 5.22 1.51 -0.40 -0.97 117.35 127.85 2qqk s TYR 90 Ca 0.41 0.24 0.07 0.00 -1.01 0.00 0.00 57.07 56.78 2qqk s TYR 90 Cb -0.17 -2.10 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 2qqk s TYR 90 CO 0.16 0.28 -0.22 0.71 -1.11 0.00 0.00 175.55 175.37 2qqk s TYR 91 N 0.22 2.47 -0.00 2.71 1.51 0.16 -1.44 117.35 122.97 2qqk s TYR 91 Ca 0.07 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 55.79 2qqk s TYR 91 Cb -0.12 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 2qqk s TYR 91 CO -0.01 0.08 0.09 0.00 -1.11 0.00 0.00 175.55 174.60 2qqk s ALA 93 N -1.20 0.12 0.00 0.00 0.00 -0.55 -1.43 121.76 118.70 2qqk s ALA 93 Ca 0.23 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 2qqk s ALA 93 Cb -0.12 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 2qqk s ALA 93 CO 0.14 -0.06 0.36 0.50 0.00 0.00 0.00 175.76 176.70 2qqk s ARG 94 N -0.73 3.80 -0.06 0.00 3.52 0.10 -1.07 118.95 124.52 2qqk s ARG 94 Ca -0.07 0.26 0.05 0.00 -0.13 0.00 0.00 55.73 55.84 2qqk s ARG 94 Cb -0.05 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 2qqk s ARG 94 CO -0.00 0.67 -0.22 -2.00 -0.81 0.00 0.00 175.30 172.94 2qqk s GLU 95 N -1.29 2.53 -0.48 5.12 2.12 0.16 -0.68 118.70 126.18 2qqk s GLU 95 Ca 0.25 -0.85 0.04 0.00 0.36 0.00 0.00 54.97 54.76 2qqk s GLU 95 Cb -0.15 -2.22 0.12 0.00 0.26 0.00 0.00 34.13 32.14 2qqk s GLU 95 CO 0.13 0.44 0.22 0.34 -0.54 0.00 0.00 175.26 175.86 2qqk s ASP 96 N -0.31 4.36 -0.02 -1.70 2.15 -1.26 -1.12 116.67 118.78 2qqk s ASP 96 Ca 0.01 -2.85 0.22 0.00 0.43 0.00 0.00 52.55 50.36 2qqk s ASP 96 Cb -0.13 -1.61 -0.29 0.00 -0.30 0.00 0.00 42.92 40.59 2qqk s ASP 96 CO 0.02 -0.26 0.62 2.22 -0.17 0.00 0.00 175.17 177.60 2qqk n PHE 97 N 3.33 0.02 -2.01 -5.34 1.16 -1.26 -4.74 117.46 108.62 2qqk n PHE 97 Ca 0.05 0.01 -0.43 0.00 -1.87 0.00 0.00 57.45 55.21 2qqk n PHE 97 Cb 0.34 -0.37 -0.03 0.00 -1.61 0.00 0.00 39.48 37.81 2qqk n PHE 97 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 2qqk s ARG 98 N -3.37 3.91 -0.55 3.97 0.52 -1.26 -4.82 118.95 117.36 2qqk s ARG 98 Ca -0.03 1.95 -0.00 0.00 -0.52 0.00 0.00 55.73 57.13 2qqk s ARG 98 Cb 0.14 -4.05 -0.00 0.00 0.52 0.00 0.00 34.95 31.56 2qqk s ARG 98 CO 0.89 -1.16 0.46 0.09 0.02 0.00 0.00 175.30 175.60 2qqk n ASN 99 N 8.14 -2.31 0.00 0.23 5.03 -1.26 -5.16 115.26 119.93 2qqk n ASN 99 Ca 0.19 -0.29 0.00 0.00 0.87 0.00 0.00 54.58 55.35 2qqk n ASN 99 Cb 0.44 -2.65 0.00 0.00 -1.02 0.00 0.00 39.78 36.55 2qqk n ASN 99 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2qqk n ARG 100 N -2.43 0.00 -0.10 3.52 1.74 -1.26 -5.17 116.66 112.96 2qqk n ARG 100 Ca -0.12 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.08 2qqk n ARG 100 Cb 0.58 -1.76 0.30 0.00 -1.02 0.00 0.00 32.46 30.56 2qqk n ARG 100 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qqk n LEU 100 N 0.00 2.44 -4.70 0.55 7.99 -1.26 -4.89 117.00 117.13 2qqk n LEU 100 Ca 0.00 -0.98 -0.43 0.00 -0.01 0.00 0.00 56.01 54.59 2qqk n LEU 100 Cb 0.00 -0.13 -0.02 0.00 -0.11 0.00 0.00 43.42 43.17 2qqk n LEU 100 CO 0.00 0.49 1.05 0.79 -1.51 0.00 0.00 177.39 178.21 2qqk n TRP 100 N 0.85 2.41 -0.77 -1.77 7.02 -1.26 -1.54 117.44 122.37 2qqk n TRP 100 Ca 0.17 0.42 0.00 0.00 -1.02 0.00 0.00 57.50 57.07 2qqk n TRP 100 Cb 0.46 -2.49 0.00 0.00 -2.42 0.00 0.00 31.31 26.87 2qqk n TRP 100 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2qqk n TYR 100 N 1.48 0.00 -3.15 -5.99 4.02 -1.26 -4.95 117.16 107.31 2qqk n TYR 100 Ca 0.08 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.58 2qqk n TYR 100 Cb 0.34 -1.71 -0.05 0.00 -0.02 0.00 0.00 39.34 37.91 2qqk n TYR 100 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2qqk s VAL 100 N -0.87 5.07 -0.54 -0.72 1.01 -0.59 -5.03 120.40 118.72 2qqk s VAL 100 Ca 0.00 1.27 -0.16 0.00 0.00 0.00 0.00 61.98 63.08 2qqk s VAL 100 Cb 0.00 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.54 2qqk s VAL 100 CO 0.00 0.30 0.51 -0.04 0.00 0.00 0.00 175.10 175.88 2qqk s MET 100 N 0.58 3.00 0.21 2.72 -1.94 -1.26 -4.18 119.30 118.43 2qqk s MET 100 Ca 0.33 -1.60 0.24 0.00 -1.71 0.00 0.00 55.69 52.94 2qqk s MET 100 Cb -0.17 -4.27 0.27 0.00 2.01 0.00 0.00 34.83 32.66 2qqk s MET 100 CO 0.16 -1.32 1.31 0.38 -0.01 0.00 0.00 175.02 175.54 2qqk h ASP 101 N 8.91 0.00 -4.10 3.03 2.03 -1.28 -3.45 116.42 121.55 2qqk h ASP 101 Ca -0.30 -0.08 -0.19 0.00 -0.73 0.00 0.00 57.03 55.73 2qqk h ASP 101 Cb 1.10 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 39.35 2qqk h ASP 101 CO 1.03 0.04 -0.58 -0.31 -1.03 0.00 0.00 179.24 178.39 2qqk s TYR 102 N -3.24 -0.06 0.09 4.15 1.51 -1.25 -5.01 117.35 113.55 2qqk s TYR 102 Ca 0.04 0.15 0.07 0.00 -1.01 0.00 0.00 57.07 56.33 2qqk s TYR 102 Cb 0.11 0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 41.93 2qqk s TYR 102 CO 0.73 -0.11 -0.19 -1.58 -1.11 0.00 0.00 175.55 173.29 2qqk s TRP 103 N -0.34 1.59 0.98 2.71 0.52 -1.26 -0.72 118.94 122.41 2qqk s TRP 103 Ca -0.04 -0.43 -0.17 0.00 0.02 0.00 0.00 56.10 55.48 2qqk s TRP 103 Cb -0.03 -0.88 0.23 0.00 -1.15 0.00 0.00 33.47 31.64 2qqk s TRP 103 CO 0.00 0.15 1.27 0.41 0.02 0.00 0.00 176.95 178.81 2qqk n GLY 104 N 1.16 -1.64 0.04 0.98 0.00 -0.52 -4.75 105.19 100.45 2qqk n GLY 104 Ca -0.20 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.26 2qqk n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqk n GLN 105 N -3.85 0.16 0.00 1.61 10.64 -1.26 -4.81 117.38 119.87 2qqk n GLN 105 Ca 0.16 -0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 2qqk n GLN 105 Cb 0.56 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 2qqk n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qqk n GLY 106 N 1.46 -0.75 2.91 2.61 0.00 -1.26 -5.01 105.19 105.15 2qqk n GLY 106 Ca 0.07 -1.60 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 2qqk n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qqk s THR 107 N -3.04 0.40 -0.30 2.61 -1.32 -0.52 -4.83 115.64 108.64 2qqk s THR 107 Ca 0.00 -0.12 -0.22 0.00 -1.21 0.00 0.00 61.69 60.13 2qqk s THR 107 Cb 0.00 -0.40 -0.00 0.00 -1.51 0.00 0.00 72.50 70.58 2qqk s THR 107 CO 0.00 0.16 0.74 -0.22 -2.21 0.00 0.00 174.62 173.08 2qqk s LEU 108 N 0.46 4.10 -0.20 9.08 2.96 -1.26 -1.28 118.68 132.53 2qqk s LEU 108 Ca -0.05 0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 54.40 2qqk s LEU 108 Cb -0.09 -3.00 -0.05 0.00 0.50 0.00 0.00 46.19 43.56 2qqk s LEU 108 CO -0.00 -0.55 0.11 -0.69 -1.32 0.00 0.00 176.35 173.89 2qqk s VAL 109 N 2.82 5.12 -0.19 1.68 1.01 -0.27 -2.40 120.40 128.17 2qqk s VAL 109 Ca 0.30 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.38 2qqk s VAL 109 Cb -0.15 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 32.92 2qqk s VAL 109 CO 0.12 0.42 -0.18 -0.89 0.00 0.00 0.00 175.10 174.57 2qqk s THR 110 N 0.58 1.99 -0.63 3.92 2.01 -0.48 -1.71 115.64 121.32 2qqk s THR 110 Ca 0.06 -0.99 -0.17 0.00 0.31 0.00 0.00 61.69 60.90 2qqk s THR 110 Cb -0.12 -1.86 0.14 0.00 0.01 0.00 0.00 72.50 70.67 2qqk s THR 110 CO 0.01 0.44 0.66 -0.69 -0.69 0.00 0.00 174.62 174.34 2qqk s VAL 111 N 1.30 5.11 0.03 3.82 1.01 -1.26 -1.61 120.40 128.80 2qqk s VAL 111 Ca 0.03 -1.50 -0.09 0.00 0.00 0.00 0.00 61.98 60.42 2qqk s VAL 111 Cb -0.14 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.80 2qqk s VAL 111 CO -0.11 -1.03 0.19 -0.55 0.00 0.00 0.00 175.10 173.59 2qqk s SER 112 N 3.35 0.03 0.09 3.32 0.15 -1.02 -4.67 113.70 114.96 2qqk s SER 112 Ca 0.11 -0.35 0.25 0.00 0.70 0.00 0.00 55.95 56.66 2qqk s SER 112 Cb -0.23 0.28 0.48 0.00 -1.71 0.00 0.00 66.02 64.84 2qqk s SER 112 CO 0.01 -0.53 1.42 -1.20 1.20 0.00 0.00 173.24 174.14 2qqk n SER 113 N 0.78 0.61 -4.21 5.45 7.64 -1.26 -3.85 113.62 118.78 2qqk n SER 113 Ca -0.19 0.10 -0.29 0.00 1.01 0.00 0.00 58.87 59.49 2qqk n SER 113 Cb 0.58 0.06 0.20 0.00 -1.01 0.00 0.00 64.21 64.05 2qqk n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qqk s ALA 114 N -3.11 0.98 0.11 -0.43 0.00 -1.26 -5.05 121.76 113.00 2qqk s ALA 114 Ca 0.08 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.34 2qqk s ALA 114 Cb 0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2qqk s ALA 114 CO 0.69 -3.12 -0.05 -1.12 0.00 0.00 0.00 175.76 172.16 2qqk s SER 115 N -3.88 4.71 0.35 0.00 0.01 -1.26 -5.00 113.70 108.64 2qqk s SER 115 Ca 0.69 -0.30 -0.28 0.00 1.31 0.00 0.00 55.95 57.37 2qqk s SER 115 Cb -0.12 -1.01 -0.11 0.00 0.21 0.00 0.00 66.02 64.99 2qqk s SER 115 CO 0.56 0.17 1.47 -0.89 0.41 0.00 0.00 173.24 174.96 2qqk s THR 116 N -1.31 2.18 -0.17 1.44 2.01 -1.26 -4.70 115.64 113.83 2qqk s THR 116 Ca 0.24 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.35 2qqk s THR 116 Cb -0.11 -3.11 0.08 0.00 0.01 0.00 0.00 72.50 69.37 2qqk s THR 116 CO 0.16 0.04 0.35 -0.75 -0.69 0.00 0.00 174.62 173.73 2qqk s LYS 117 N -1.79 0.25 0.49 4.92 2.36 -0.05 -4.94 119.74 120.98 2qqk s LYS 117 Ca 0.54 0.90 -0.18 0.00 -2.55 0.00 0.00 55.97 54.68 2qqk s LYS 117 Cb -0.45 0.16 -0.09 0.00 -1.05 0.00 0.00 37.83 36.40 2qqk s LYS 117 CO 0.59 -0.26 0.98 0.20 1.55 0.00 0.00 175.35 178.41 2qqk s GLY 118 N 2.47 2.16 0.79 5.54 0.00 -1.26 -0.59 107.32 116.42 2qqk s GLY 118 Ca -0.01 0.25 -0.12 0.00 0.00 0.00 0.00 44.72 44.84 2qqk s GLY 118 CO -0.11 0.53 1.16 2.56 0.00 0.00 0.00 173.10 177.24 2qqk s PRO 119 N -3.81 2.12 -0.10 2.90 0.04 -1.25 -4.62 135.00 130.27 2qqk s PRO 119 Ca 0.60 0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.83 2qqk s PRO 119 Cb -0.10 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2qqk s PRO 119 CO 0.26 -1.49 -0.22 -1.12 0.04 0.00 0.00 177.00 174.47 2qqk s SER 120 N -4.54 2.89 -0.37 6.66 0.01 -0.04 -4.95 113.70 113.36 2qqk s SER 120 Ca 0.61 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 57.36 2qqk s SER 120 Cb -0.11 -1.33 0.10 0.00 0.21 0.00 0.00 66.02 64.90 2qqk s SER 120 CO 0.49 0.12 0.11 -0.69 0.41 0.00 0.00 173.24 173.68 2qqk s VAL 121 N 0.50 2.62 0.17 3.43 1.01 -1.26 -0.43 120.40 126.45 2qqk s VAL 121 Ca -0.16 -2.28 -0.01 0.00 0.00 0.00 0.00 61.98 59.54 2qqk s VAL 121 Cb -0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2qqk s VAL 121 CO 0.06 -0.64 0.35 -0.36 0.00 0.00 0.00 175.10 174.52 2qqk s PHE 122 N 0.95 3.49 0.53 5.22 0.08 -0.49 -4.90 117.98 122.85 2qqk s PHE 122 Ca 0.10 0.32 -0.15 0.00 0.12 0.00 0.00 56.93 57.32 2qqk s PHE 122 Cb -0.20 -1.83 -0.07 0.00 -0.57 0.00 0.00 43.02 40.35 2qqk s PHE 122 CO -0.07 0.43 0.98 -1.25 -0.10 0.00 0.00 175.22 175.21 2qqk s PRO 123 N -3.16 3.87 -0.52 0.24 0.04 -1.26 0.19 135.00 134.41 2qqk s PRO 123 Ca 0.38 0.89 0.02 0.00 0.04 0.00 0.00 61.00 62.32 2qqk s PRO 123 Cb -0.11 -2.14 0.13 0.00 0.04 0.00 0.00 34.50 32.42 2qqk s PRO 123 CO 0.28 -0.31 0.28 -0.51 0.04 0.00 0.00 177.00 176.78 2qqk s LEU 124 N -4.27 4.70 0.16 -3.56 1.43 0.15 -4.72 118.68 112.56 2qqk s LEU 124 Ca 0.58 -2.79 -0.30 0.00 -1.03 0.00 0.00 54.13 50.58 2qqk s LEU 124 Cb -0.10 -1.71 -0.07 0.00 0.03 0.00 0.00 46.19 44.34 2qqk s LEU 124 CO 0.36 -0.31 1.01 0.00 0.23 0.00 0.00 176.35 177.64 2qqk s ALA 125 N 0.02 3.31 0.31 4.21 0.00 -1.26 -2.40 121.76 125.95 2qqk s ALA 125 Ca 0.16 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2qqk s ALA 125 Cb -0.23 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2qqk s ALA 125 CO -0.02 -0.06 0.00 -2.30 0.00 0.00 0.00 175.76 173.38 2qqk n PRO 126 N 2.39 0.98 0.00 0.00 -0.02 -1.26 -5.01 135.00 132.08 2qqk n PRO 126 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2qqk n PRO 126 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 2qqk n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qqk n GLY 134 N 0.00 0.44 3.61 -1.23 0.00 -1.26 -4.89 105.19 101.86 2qqk n GLY 134 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2qqk n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qqk s THR 135 N 1.81 -0.22 0.09 2.61 2.01 -1.26 -3.91 115.64 116.77 2qqk s THR 135 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 2qqk s THR 135 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2qqk s THR 135 CO 0.00 0.00 -0.20 0.00 -0.69 0.00 0.00 174.62 173.73 2qqk s ALA 136 N 1.83 1.71 -0.12 7.40 0.00 -0.16 -4.72 121.76 127.69 2qqk s ALA 136 Ca -0.08 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.73 2qqk s ALA 136 Cb -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 2qqk s ALA 136 CO -0.18 0.34 -0.21 0.00 0.00 0.00 0.00 175.76 175.72 2qqk s ALA 137 N -1.10 2.30 0.01 0.00 0.00 -1.26 -1.54 121.76 120.16 2qqk s ALA 137 Ca 0.06 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 2qqk s ALA 137 Cb -0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 2qqk s ALA 137 CO 0.04 0.21 0.03 -0.48 0.00 0.00 0.00 175.76 175.56 2qqk s LEU 138 N 0.45 1.98 0.00 0.00 0.05 -1.05 -4.02 118.68 116.09 2qqk s LEU 138 Ca -0.15 -0.37 -0.12 0.00 0.05 0.00 0.00 54.13 53.54 2qqk s LEU 138 Cb -0.17 0.31 0.05 0.00 -2.05 0.00 0.00 46.19 44.32 2qqk s LEU 138 CO 0.06 -0.31 0.64 0.61 -0.55 0.00 0.00 176.35 176.79 2qqk n GLY 139 N 1.61 1.16 3.30 -3.48 0.00 -1.01 -0.96 105.19 105.80 2qqk n GLY 139 Ca -0.23 -1.20 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 2qqk n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqk s LEU 141 N -1.06 4.89 -0.57 0.00 2.96 0.13 -1.35 118.68 123.67 2qqk s LEU 141 Ca 0.10 -1.81 -0.18 0.00 -0.22 0.00 0.00 54.13 52.02 2qqk s LEU 141 Cb -0.09 -1.80 0.11 0.00 0.50 0.00 0.00 46.19 44.90 2qqk s LEU 141 CO 0.01 -0.46 0.64 -0.69 -1.32 0.00 0.00 176.35 174.53 2qqk s VAL 142 N 1.18 4.93 0.04 1.68 1.01 -0.42 -1.39 120.40 127.43 2qqk s VAL 142 Ca 0.05 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.95 2qqk s VAL 142 Cb -0.22 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 2qqk s VAL 142 CO -0.03 -1.03 0.01 -0.75 0.00 0.00 0.00 175.10 173.29 2qqk s LYS 143 N 2.38 2.72 -0.42 2.72 2.20 0.43 -2.14 119.74 127.63 2qqk s LYS 143 Ca 0.09 -0.70 -0.16 0.00 -0.36 0.00 0.00 55.97 54.84 2qqk s LYS 143 Cb -0.26 -2.63 0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2qqk s LYS 143 CO 0.06 0.59 0.54 -0.25 -0.36 0.00 0.00 175.35 175.93 2qqk n ASP 144 N 0.98 -7.82 -3.95 1.43 9.92 -0.29 -0.86 116.55 115.95 2qqk n ASP 144 Ca -0.12 0.58 -0.08 0.00 -0.53 0.00 0.00 54.79 54.64 2qqk n ASP 144 Cb 0.52 -5.15 -0.08 0.00 -0.64 0.00 0.00 41.12 35.77 2qqk n ASP 144 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2qqk s TYR 145 N -2.44 0.30 -0.26 1.24 1.13 -0.70 -3.84 117.35 112.78 2qqk s TYR 145 Ca 0.23 -0.77 -0.25 0.00 -1.41 0.00 0.00 57.07 54.87 2qqk s TYR 145 Cb -0.06 -0.19 0.08 0.00 -1.10 0.00 0.00 41.96 40.69 2qqk s TYR 145 CO 0.77 -0.49 0.76 0.12 -2.51 0.00 0.00 175.55 174.21 2qqk s PHE 146 N -3.89 -0.74 0.71 -3.49 2.19 0.24 -0.02 117.98 112.98 2qqk s PHE 146 Ca 0.06 1.79 -0.11 0.00 0.33 0.00 0.00 56.93 59.01 2qqk s PHE 146 Cb 0.06 0.29 0.16 0.00 -1.31 0.00 0.00 43.02 42.22 2qqk s PHE 146 CO -0.10 -0.37 0.96 -0.35 1.83 0.00 0.00 175.22 177.19 2qqk n PRO 147 N 2.56 -0.81 -0.76 10.12 -0.04 -1.26 -0.87 135.00 143.94 2qqk n PRO 147 Ca -0.14 -1.63 -0.29 0.00 -0.04 0.00 0.00 63.50 61.40 2qqk n PRO 147 Cb 0.55 -0.95 0.21 0.00 -0.04 0.00 0.00 33.50 33.27 2qqk n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2qqk s GLU 148 N -5.07 0.01 0.45 0.54 0.41 -1.26 -4.81 118.70 108.97 2qqk s GLU 148 Ca 0.56 0.95 0.08 0.00 -0.41 0.00 0.00 54.97 56.15 2qqk s GLU 148 Cb -0.02 -1.65 0.01 0.00 -1.78 0.00 0.00 34.13 30.69 2qqk s GLU 148 CO 0.39 -3.13 0.52 -1.25 -0.49 0.00 0.00 175.26 171.29 2qqk s PRO 149 N -4.64 2.61 0.09 0.39 0.04 -1.26 -4.93 135.00 127.29 2qqk s PRO 149 Ca 0.67 -1.46 0.09 0.00 0.04 0.00 0.00 61.00 60.34 2qqk s PRO 149 Cb -0.23 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 2qqk s PRO 149 CO 0.61 -0.35 -0.24 0.54 0.04 0.00 0.00 177.00 177.61 2qqk s VAL 150 N -2.47 1.94 0.06 -0.36 0.11 -1.26 -4.48 120.40 113.94 2qqk s VAL 150 Ca 0.52 -1.51 0.08 0.00 -2.93 0.00 0.00 61.98 58.14 2qqk s VAL 150 Cb -0.06 -1.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.04 2qqk s VAL 150 CO 0.31 0.11 -0.18 0.42 -3.33 0.00 0.00 175.10 172.43 2qqk s THR 151 N -1.00 2.79 -0.07 5.04 -4.23 -0.24 -4.97 115.64 112.97 2qqk s THR 151 Ca 0.10 -1.28 -0.00 0.00 -1.18 0.00 0.00 61.69 59.32 2qqk s THR 151 Cb -0.10 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.57 2qqk s THR 151 CO 0.04 0.27 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.68 2qqk s VAL 152 N -0.99 0.48 0.41 2.29 1.01 -1.26 -1.71 120.40 120.63 2qqk s VAL 152 Ca 0.15 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.22 2qqk s VAL 152 Cb -0.10 -0.58 -0.07 0.00 0.00 0.00 0.00 36.38 35.62 2qqk s VAL 152 CO 0.07 0.26 0.05 -0.94 0.00 0.00 0.00 175.10 174.53 2qqk s SER 153 N 1.59 4.01 0.01 3.32 1.04 -0.75 -4.94 113.70 117.98 2qqk s SER 153 Ca -0.01 -1.29 0.08 0.00 0.48 0.00 0.00 55.95 55.22 2qqk s SER 153 Cb -0.13 -0.42 -0.02 0.00 0.10 0.00 0.00 66.02 65.55 2qqk s SER 153 CO -0.04 -0.46 -0.24 0.26 0.98 0.00 0.00 173.24 173.75 2qqk s TRP 154 N -2.68 2.10 -1.71 5.02 0.52 -1.26 0.95 118.94 121.89 2qqk s TRP 154 Ca 0.36 -0.40 -0.18 0.00 0.02 0.00 0.00 56.10 55.91 2qqk s TRP 154 Cb 0.08 -1.31 0.16 0.00 -1.15 0.00 0.00 33.47 31.25 2qqk s TRP 154 CO 0.19 0.04 0.77 0.09 0.02 0.00 0.00 176.95 178.05 2qqk n ASN 155 N 2.16 -3.13 -3.38 2.95 3.02 -0.18 -1.30 115.26 115.41 2qqk n ASN 155 Ca -0.16 -1.02 -0.24 0.00 -0.03 0.00 0.00 54.58 53.12 2qqk n ASN 155 Cb 0.52 -2.71 0.03 0.00 -0.61 0.00 0.00 39.78 37.01 2qqk n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2qqk n SER 156 N -2.66 -5.33 0.00 6.41 7.64 -1.26 -2.22 113.62 116.20 2qqk n SER 156 Ca 0.06 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2qqk n SER 156 Cb 0.50 -4.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.40 2qqk n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qqk n GLY 157 N -1.55 3.25 0.24 0.23 0.00 -0.42 -4.95 105.19 101.98 2qqk n GLY 157 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2qqk n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqk h ALA 158 N 0.00 0.55 -2.30 4.61 0.00 -1.37 -3.40 119.26 117.34 2qqk h ALA 158 Ca 0.00 -0.34 -0.63 0.00 0.00 0.00 0.00 54.91 53.94 2qqk h ALA 158 Cb 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 17.52 2qqk h ALA 158 CO 0.00 0.46 0.18 -1.17 0.00 0.00 0.00 179.25 178.72 2qqk s LEU 159 N -9.18 4.23 0.00 0.00 2.96 -1.09 -4.82 118.68 110.77 2qqk s LEU 159 Ca -0.12 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 2qqk s LEU 159 Cb 0.10 -2.82 0.00 0.00 0.50 0.00 0.00 46.19 43.97 2qqk s LEU 159 CO 0.83 -0.61 0.00 0.35 -1.32 0.00 0.00 176.35 175.60 2qqk n THR 160 N 5.60 0.00 -2.09 3.68 -2.24 -1.26 -4.03 114.28 113.94 2qqk n THR 160 Ca -0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 2qqk n THR 160 Cb 0.49 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 2qqk n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qqk s SER 161 N -2.43 6.73 0.00 3.42 0.15 -1.26 -2.31 113.70 118.00 2qqk s SER 161 Ca 0.00 2.15 0.00 0.00 0.70 0.00 0.00 55.95 58.80 2qqk s SER 161 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2qqk s SER 161 CO 0.00 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.18 2qqk n GLY 162 N 3.98 0.75 3.78 9.45 0.00 -1.26 -4.79 105.19 117.10 2qqk n GLY 162 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2qqk n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qqk s VAL 163 N -2.36 4.43 -0.25 1.61 1.01 -0.98 -2.77 120.40 121.08 2qqk s VAL 163 Ca 0.00 1.65 -0.03 0.00 0.00 0.00 0.00 61.98 63.60 2qqk s VAL 163 Cb 0.00 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.35 2qqk s VAL 163 CO 0.00 0.52 0.09 -1.00 0.00 0.00 0.00 175.10 174.71 2qqk s HIS 164 N -1.09 0.86 -0.25 5.22 3.76 0.13 -4.98 115.29 118.95 2qqk s HIS 164 Ca 0.35 -1.02 -0.09 0.00 -0.15 0.00 0.00 55.06 54.15 2qqk s HIS 164 Cb -0.23 -1.12 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 2qqk s HIS 164 CO 0.25 -0.74 0.13 0.99 -0.85 0.00 0.00 174.74 174.53 2qqk s THR 165 N 1.91 4.96 0.55 1.30 2.01 -1.26 -1.78 115.64 123.33 2qqk s THR 165 Ca 0.05 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.94 2qqk s THR 165 Cb -0.17 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 2qqk s THR 165 CO -0.22 0.33 1.01 -0.36 -0.69 0.00 0.00 174.62 174.68 2qqk s PHE 166 N 1.37 3.39 0.48 4.92 0.40 -0.44 -5.01 117.98 123.09 2qqk s PHE 166 Ca 0.06 1.45 -0.24 0.00 -0.60 0.00 0.00 56.93 57.60 2qqk s PHE 166 Cb -0.15 -2.82 -0.07 0.00 0.51 0.00 0.00 43.02 40.49 2qqk s PHE 166 CO 0.06 -0.57 1.40 -2.14 0.70 0.00 0.00 175.22 174.67 2qqk s PRO 167 N -4.27 3.54 0.50 0.24 0.02 -1.26 -4.67 135.00 129.10 2qqk s PRO 167 Ca 0.59 2.35 -0.21 0.00 0.02 0.00 0.00 61.00 63.74 2qqk s PRO 167 Cb -0.11 -2.54 -0.07 0.00 0.02 0.00 0.00 34.50 31.80 2qqk s PRO 167 CO 0.36 -0.91 1.16 0.00 -0.33 0.00 0.00 177.00 177.29 2qqk s ALA 168 N -1.24 2.85 -0.06 -1.55 0.00 -1.26 -4.79 121.76 115.70 2qqk s ALA 168 Ca 0.64 0.91 0.04 0.00 0.00 0.00 0.00 51.96 53.55 2qqk s ALA 168 Cb -0.42 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 2qqk s ALA 168 CO 0.53 -0.73 -0.18 0.14 0.00 0.00 0.00 175.76 175.51 2qqk s VAL 169 N -1.62 2.66 0.06 0.00 -7.23 -0.55 -4.93 120.40 108.79 2qqk s VAL 169 Ca 0.68 -0.85 -0.31 0.00 -1.81 0.00 0.00 61.98 59.69 2qqk s VAL 169 Cb -0.27 -2.03 -0.06 0.00 0.56 0.00 0.00 36.38 34.58 2qqk s VAL 169 CO 0.32 0.57 1.24 -0.22 -0.31 0.00 0.00 175.10 176.70 2qqk s LEU 170 N -0.35 4.36 0.60 1.32 2.96 -1.26 -2.62 118.68 123.68 2qqk s LEU 170 Ca 0.03 2.06 -0.03 0.00 -0.22 0.00 0.00 54.13 55.96 2qqk s LEU 170 Cb -0.12 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.02 2qqk s LEU 170 CO 0.02 -0.52 0.88 -1.10 -1.32 0.00 0.00 176.35 174.31 2qqk s GLN 171 N 1.21 2.59 0.27 1.98 -0.21 0.62 -4.98 119.66 121.14 2qqk s GLN 171 Ca 0.60 -0.36 -0.02 0.00 0.02 0.00 0.00 55.36 55.59 2qqk s GLN 171 Cb -0.30 -2.33 0.41 0.00 1.00 0.00 0.00 33.01 31.78 2qqk s GLN 171 CO 0.29 -0.83 1.90 0.66 -2.12 0.00 0.00 175.29 175.18 2qqk h SER 172 N -0.18 1.04 0.17 5.90 4.64 -1.96 -2.63 113.55 120.53 2qqk h SER 172 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2qqk h SER 172 Cb 1.29 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2qqk h SER 172 CO 0.58 0.68 0.00 0.77 -0.87 0.00 0.00 176.83 177.99 2qqk h SER 173 N 1.19 0.00 0.00 4.97 4.64 -2.02 -3.45 113.55 118.87 2qqk h SER 173 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2qqk h SER 173 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2qqk h SER 173 CO -0.15 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 2qqk n GLY 174 N -0.98 0.30 4.01 -0.77 0.00 -0.99 -5.09 105.19 101.67 2qqk n GLY 174 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2qqk n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qqk s LEU 175 N 0.00 3.56 0.28 0.99 1.43 -1.26 -4.83 118.68 118.85 2qqk s LEU 175 Ca 0.00 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2qqk s LEU 175 Cb 0.00 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 2qqk s LEU 175 CO 0.00 -0.86 0.26 -0.31 0.23 0.00 0.00 176.35 175.66 2qqk s TYR 176 N -2.41 3.10 -0.25 0.29 2.02 0.97 -0.28 117.35 120.80 2qqk s TYR 176 Ca 0.56 -0.15 -0.19 0.00 -0.37 0.00 0.00 57.07 56.92 2qqk s TYR 176 Cb -0.09 -1.55 0.07 0.00 -0.40 0.00 0.00 41.96 39.98 2qqk s TYR 176 CO 0.34 0.40 0.63 -1.54 -1.57 0.00 0.00 175.55 173.81 2qqk s SER 177 N -3.92 -0.74 0.28 2.29 1.04 -1.08 -1.14 113.70 110.43 2qqk s SER 177 Ca 0.36 1.32 0.02 0.00 0.48 0.00 0.00 55.95 58.13 2qqk s SER 177 Cb -0.08 1.28 -0.05 0.00 0.10 0.00 0.00 66.02 67.28 2qqk s SER 177 CO 0.26 -0.23 0.11 -1.48 0.98 0.00 0.00 173.24 172.89 2qqk s LEU 178 N 0.87 1.67 0.03 2.42 0.05 -0.91 -1.48 118.68 121.34 2qqk s LEU 178 Ca -0.04 -1.44 0.05 0.00 0.05 0.00 0.00 54.13 52.75 2qqk s LEU 178 Cb -0.05 0.05 -0.02 0.00 -2.05 0.00 0.00 46.19 44.12 2qqk s LEU 178 CO -0.07 -0.78 -0.16 -0.44 -0.55 0.00 0.00 176.35 174.35 2qqk s SER 179 N -3.35 1.88 0.03 1.48 0.01 -1.26 -1.30 113.70 111.20 2qqk s SER 179 Ca 0.37 -0.45 0.07 0.00 1.31 0.00 0.00 55.95 57.25 2qqk s SER 179 Cb 0.07 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 2qqk s SER 179 CO 0.15 0.09 -0.17 -0.55 0.41 0.00 0.00 173.24 173.16 2qqk s SER 180 N -1.04 3.84 0.05 2.44 0.15 -0.46 -1.33 113.70 117.35 2qqk s SER 180 Ca 0.04 -0.40 -0.13 0.00 0.70 0.00 0.00 55.95 56.16 2qqk s SER 180 Cb -0.08 -0.64 0.02 0.00 -1.71 0.00 0.00 66.02 63.61 2qqk s SER 180 CO 0.01 0.26 0.28 0.68 1.20 0.00 0.00 173.24 175.68 2qqk s VAL 181 N -0.91 0.09 -0.06 4.45 -7.23 -0.73 0.35 120.40 116.35 2qqk s VAL 181 Ca 0.15 -0.74 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 2qqk s VAL 181 Cb -0.11 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 35.89 2qqk s VAL 181 CO 0.05 -0.41 0.16 0.54 -0.31 0.00 0.00 175.10 175.13 2qqk s VAL 182 N -2.68 -0.01 -0.28 1.32 0.11 -0.14 0.21 120.40 118.93 2qqk s VAL 182 Ca -0.04 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 58.94 2qqk s VAL 182 Cb -0.00 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 2qqk s VAL 182 CO -0.04 0.01 0.17 0.42 -3.33 0.00 0.00 175.10 172.33 2qqk s THR 183 N 0.30 5.10 0.43 5.04 -4.23 -1.12 -2.52 115.64 118.65 2qqk s THR 183 Ca -0.02 0.09 0.07 0.00 -1.18 0.00 0.00 61.69 60.65 2qqk s THR 183 Cb -0.03 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 2qqk s THR 183 CO -0.01 0.26 0.16 0.68 -0.54 0.00 0.00 174.62 175.17 2qqk s VAL 184 N 1.73 2.15 0.17 2.29 -7.23 -0.59 -4.77 120.40 114.15 2qqk s VAL 184 Ca 0.07 -1.74 -0.31 0.00 -1.81 0.00 0.00 61.98 58.19 2qqk s VAL 184 Cb -0.16 -2.89 -0.09 0.00 0.56 0.00 0.00 36.38 33.80 2qqk s VAL 184 CO 0.09 0.00 1.48 -2.84 -0.31 0.00 0.00 175.10 173.52 2qqk s PRO 185 N -3.90 4.26 0.00 4.82 0.02 -1.26 -0.99 135.00 137.94 2qqk s PRO 185 Ca 0.38 2.26 0.30 0.00 0.02 0.00 0.00 61.00 63.95 2qqk s PRO 185 Cb 0.04 -3.17 1.78 0.00 0.02 0.00 0.00 34.50 33.17 2qqk s PRO 185 CO 0.21 -0.50 2.12 -1.13 -0.33 0.00 0.00 177.00 177.37 2qqk n SER 186 N 3.56 0.00 -0.05 2.53 3.41 -1.25 -2.97 113.62 118.84 2qqk n SER 186 Ca 0.11 -0.97 -0.14 0.00 -0.26 0.00 0.00 58.87 57.61 2qqk n SER 186 Cb 0.40 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 2qqk n SER 186 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2qqk h SER 187 N 0.00 0.91 -0.51 4.04 4.64 -1.91 -3.34 113.55 117.37 2qqk h SER 187 Ca 0.00 -0.51 -0.23 0.00 -0.47 0.00 0.00 61.79 60.57 2qqk h SER 187 Cb 0.00 -0.26 -0.14 0.00 -0.31 0.00 0.00 62.40 61.69 2qqk h SER 187 CO 0.00 1.30 0.30 -1.54 -0.87 0.00 0.00 176.83 176.02 2qqk n SER 188 N -3.98 3.47 -4.78 4.97 3.41 -1.16 -4.88 113.62 110.68 2qqk n SER 188 Ca -0.05 -2.83 -0.38 0.00 -0.26 0.00 0.00 58.87 55.36 2qqk n SER 188 Cb 0.65 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.87 2qqk n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qqk s LEU 189 N -1.79 4.38 0.00 1.04 2.01 -1.26 -2.50 118.68 120.56 2qqk s LEU 189 Ca 0.32 0.89 0.00 0.00 0.01 0.00 0.00 54.13 55.35 2qqk s LEU 189 Cb 0.26 -2.64 0.00 0.00 0.01 0.00 0.00 46.19 43.82 2qqk s LEU 189 CO 0.07 0.17 0.00 0.61 1.01 0.00 0.00 176.35 178.20 2qqk n GLY 190 N 2.54 3.29 0.08 -3.19 0.00 -1.26 -4.84 105.19 101.81 2qqk n GLY 190 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2qqk n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qqk n THR 191 N -1.33 1.37 -2.69 2.61 -2.24 -1.25 -4.98 114.28 105.78 2qqk n THR 191 Ca 0.00 0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.55 2qqk n THR 191 Cb 0.00 -2.29 -0.04 0.00 -2.10 0.00 0.00 70.33 65.90 2qqk n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2qqk s GLN 192 N -2.68 4.66 0.23 -0.78 2.00 -1.04 -5.04 119.66 117.02 2qqk s GLN 192 Ca -0.25 1.49 -0.14 0.00 -2.00 0.00 0.00 55.36 54.46 2qqk s GLN 192 Cb 0.03 -3.37 -0.08 0.00 0.80 0.00 0.00 33.01 30.39 2qqk s GLN 192 CO 0.37 0.16 0.63 0.99 -0.50 0.00 0.00 175.29 176.94 2qqk s THR 193 N 0.11 4.78 -0.32 -0.34 2.01 -1.26 -4.86 115.64 115.75 2qqk s THR 193 Ca 0.48 0.84 -0.02 0.00 0.31 0.00 0.00 61.69 63.31 2qqk s THR 193 Cb -0.24 -3.69 0.11 0.00 0.01 0.00 0.00 72.50 68.70 2qqk s THR 193 CO 0.30 0.03 0.16 -0.31 -0.69 0.00 0.00 174.62 174.11 2qqk s TYR 194 N -1.72 0.84 -0.12 4.92 2.02 -1.26 -5.01 117.35 117.02 2qqk s TYR 194 Ca 0.46 -1.39 -0.03 0.00 -0.37 0.00 0.00 57.07 55.74 2qqk s TYR 194 Cb -0.13 -1.15 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 2qqk s TYR 194 CO 0.20 -0.84 -0.02 0.96 -1.57 0.00 0.00 175.55 174.28 2qqk s ILE 195 N 1.56 4.08 0.02 2.71 -4.36 -1.26 -1.40 121.20 122.55 2qqk s ILE 195 Ca 0.12 -0.31 -0.01 0.00 -0.26 0.00 0.00 60.65 60.19 2qqk s ILE 195 Cb -0.19 -2.75 -0.04 0.00 1.25 0.00 0.00 42.46 40.73 2qqk s ILE 195 CO -0.21 0.55 0.15 0.00 0.24 0.00 0.00 174.94 175.67 2qqk s ASN 197 N -2.07 5.19 0.28 0.00 -0.87 0.27 -2.63 114.94 115.10 2qqk s ASN 197 Ca 0.28 -2.84 -0.17 0.00 -1.57 0.00 0.00 52.86 48.56 2qqk s ASN 197 Cb -0.12 -1.84 -0.09 0.00 -0.02 0.00 0.00 41.25 39.18 2qqk s ASN 197 CO 0.20 -0.37 0.73 -0.69 -2.57 0.00 0.00 177.10 174.41 2qqk s VAL 198 N -0.04 4.62 -0.28 1.60 1.01 -0.80 -1.81 120.40 124.70 2qqk s VAL 198 Ca 0.17 1.12 -0.08 0.00 0.00 0.00 0.00 61.98 63.18 2qqk s VAL 198 Cb -0.21 -3.73 0.13 0.00 0.00 0.00 0.00 36.38 32.58 2qqk s VAL 198 CO -0.03 -0.00 0.60 0.21 0.00 0.00 0.00 175.10 175.87 2qqk s ASN 199 N -1.98 -0.97 -0.49 3.32 2.47 -0.69 -2.19 114.94 114.41 2qqk s ASN 199 Ca 0.49 1.37 0.03 0.00 0.42 0.00 0.00 52.86 55.17 2qqk s ASN 199 Cb -0.13 2.09 0.13 0.00 -1.45 0.00 0.00 41.25 41.89 2qqk s ASN 199 CO 0.19 -0.23 0.25 -2.28 -3.72 0.00 0.00 177.10 171.32 2qqk s HIS 200 N 2.83 2.63 0.34 0.43 5.65 -0.64 -1.08 115.29 125.46 2qqk s HIS 200 Ca -0.02 -2.83 0.04 0.00 0.25 0.00 0.00 55.06 52.50 2qqk s HIS 200 Cb -0.12 -2.38 0.67 0.00 -1.18 0.00 0.00 32.58 29.57 2qqk s HIS 200 CO -0.18 -0.76 1.95 0.87 -0.65 0.00 0.00 174.74 175.98 2qqk h LYS 201 N 6.58 0.82 -0.04 2.88 1.57 -1.80 -2.53 116.57 124.04 2qqk h LYS 201 Ca -0.04 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2qqk h LYS 201 Cb 0.91 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 2qqk h LYS 201 CO 0.59 0.54 0.12 -1.35 -0.57 0.00 0.00 179.45 178.78 2qqk h PRO 202 N 0.84 0.00 0.00 3.15 0.11 -1.92 -2.82 132.00 131.36 2qqk h PRO 202 Ca 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.43 2qqk h PRO 202 Cb 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 2qqk h PRO 202 CO -0.11 0.00 -0.23 -1.13 -0.21 0.00 0.00 178.00 176.32 2qqk n SER 203 N -3.30 1.46 -4.05 -2.05 3.41 -0.97 -4.98 113.62 103.14 2qqk n SER 203 Ca -0.02 -2.72 -0.32 0.00 -0.26 0.00 0.00 58.87 55.56 2qqk n SER 203 Cb 0.20 -0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2qqk n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qqk n ASN 204 N -0.87 -3.43 -4.59 4.04 5.03 -1.07 -4.89 115.26 109.49 2qqk n ASN 204 Ca 0.10 -0.91 -0.34 0.00 0.87 0.00 0.00 54.58 54.30 2qqk n ASN 204 Cb 0.68 -3.30 -0.10 0.00 -1.02 0.00 0.00 39.78 36.03 2qqk n ASN 204 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2qqk s THR 205 N -3.39 4.51 -0.40 3.41 2.01 -1.13 -5.04 115.64 115.60 2qqk s THR 205 Ca 0.59 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.48 2qqk s THR 205 Cb -0.31 -3.02 0.16 0.00 0.01 0.00 0.00 72.50 69.34 2qqk s THR 205 CO 0.88 0.47 0.30 -0.75 -0.69 0.00 0.00 174.62 174.83 2qqk s LYS 206 N 0.42 0.87 0.15 4.92 2.20 -1.26 -1.62 119.74 125.41 2qqk s LYS 206 Ca 0.01 -1.91 -0.04 0.00 -0.36 0.00 0.00 55.97 53.68 2qqk s LYS 206 Cb -0.13 -1.50 -0.05 0.00 -1.51 0.00 0.00 37.83 34.64 2qqk s LYS 206 CO 0.01 -1.32 0.37 0.08 -0.36 0.00 0.00 175.35 174.13 2qqk s VAL 207 N 0.33 5.19 -0.18 4.02 1.01 -0.93 -5.00 120.40 124.85 2qqk s VAL 207 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 2qqk s VAL 207 Cb -0.06 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.73 2qqk s VAL 207 CO -0.12 0.01 0.02 -1.81 0.00 0.00 0.00 175.10 173.19 2qqk s ASP 208 N -2.56 2.74 -0.10 3.32 1.01 -1.26 -1.90 116.67 117.92 2qqk s ASP 208 Ca 0.40 -0.72 -0.01 0.00 0.71 0.00 0.00 52.55 52.94 2qqk s ASP 208 Cb -0.12 -0.62 -0.03 0.00 1.01 0.00 0.00 42.92 43.16 2qqk s ASP 208 CO 0.26 -0.28 -0.06 -0.75 0.21 0.00 0.00 175.17 174.55 2qqk s LYS 209 N 1.84 3.04 -0.35 8.23 2.47 -1.08 -4.96 119.74 128.93 2qqk s LYS 209 Ca -0.00 -0.54 -0.17 0.00 -1.56 0.00 0.00 55.97 53.69 2qqk s LYS 209 Cb -0.16 -2.68 -0.00 0.00 -1.46 0.00 0.00 37.83 33.52 2qqk s LYS 209 CO -0.07 0.53 0.46 0.21 0.16 0.00 0.00 175.35 176.63 2qqk s LYS 210 N -0.44 3.58 -0.33 4.03 2.20 -1.26 -1.86 119.74 125.66 2qqk s LYS 210 Ca 0.07 -0.27 -0.17 0.00 -0.36 0.00 0.00 55.97 55.23 2qqk s LYS 210 Cb -0.12 -3.82 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 2qqk s LYS 210 CO 0.02 -0.62 0.45 0.08 -0.36 0.00 0.00 175.35 174.93 2qqk s VAL 211 N 2.26 5.08 0.05 4.02 1.01 -0.49 -4.97 120.40 127.36 2qqk s VAL 211 Ca 0.16 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.51 2qqk s VAL 211 Cb -0.16 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2qqk s VAL 211 CO 0.13 -0.10 -0.07 -1.61 0.00 0.00 0.00 175.10 173.44 2qqk s GLU 212 N 2.24 0.56 0.00 2.72 2.02 -1.26 -4.42 118.70 120.56 2qqk s GLU 212 Ca 0.17 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.31 2qqk s GLU 212 Cb -0.16 -0.24 0.00 0.00 0.10 0.00 0.00 34.13 33.83 2qqk s GLU 212 CO 0.12 0.03 0.00 -0.35 0.02 0.00 0.00 175.26 175.08 2qqk n PRO 213 N 1.23 1.30 -2.11 0.39 -0.04 -1.26 -4.71 135.00 129.79 2qqk n PRO 213 Ca -0.21 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.84 2qqk n PRO 213 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.99 2qqk n PRO 213 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2qqk s THR 219 N 0.00 2.84 -2.30 0.52 -4.23 -1.26 -4.92 115.64 106.30 2qqk s THR 219 Ca 0.00 0.75 0.30 0.00 -1.18 0.00 0.00 61.69 61.55 2qqk s THR 219 Cb 0.00 -3.48 0.69 0.00 1.34 0.00 0.00 72.50 71.06 2qqk s THR 219 CO 0.00 0.14 1.94 1.41 -0.54 0.00 0.00 174.62 177.57