#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkp h TRP 3 N 0.00 0.00 -0.00 0.66 5.08 -2.04 -3.26 115.95 116.39 1xkp h TRP 3 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1xkp h TRP 3 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1xkp h TRP 3 CO 0.00 0.12 -0.07 0.44 -1.28 0.00 0.00 178.44 177.64 1xkp n ILE 4 N -3.14 0.00 -0.29 0.12 -5.35 -1.26 -4.18 119.36 105.27 1xkp n ILE 4 Ca 0.03 -0.04 0.11 0.00 -0.27 0.00 0.00 62.75 62.58 1xkp n ILE 4 Cb 0.55 -0.24 0.27 0.00 -1.74 0.00 0.00 39.64 38.48 1xkp n ILE 4 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1xkp h GLU 5 N 0.36 0.31 -0.91 6.28 4.81 -1.98 -1.26 114.58 122.19 1xkp h GLU 5 Ca 0.00 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1xkp h GLU 5 Cb 0.32 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 1xkp h GLU 5 CO 0.00 0.20 0.60 -1.35 -0.73 0.00 0.00 179.01 177.73 1xkp h PRO 6 N 0.32 1.05 -0.26 0.92 0.11 -1.87 0.34 132.00 132.61 1xkp h PRO 6 Ca 0.52 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.51 1xkp h PRO 6 Cb 0.98 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1xkp h PRO 6 CO -0.56 0.70 -0.04 0.82 -0.21 0.00 0.00 178.00 178.71 1xkp h ILE 7 N 1.09 1.28 -0.29 4.15 2.04 -1.54 -0.03 117.51 124.20 1xkp h ILE 7 Ca 0.38 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 1xkp h ILE 7 Cb 0.11 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1xkp h ILE 7 CO -0.13 0.32 -0.09 0.40 0.00 0.00 0.00 178.15 178.65 1xkp h ILE 8 N 0.24 1.29 -0.62 -0.67 2.04 -0.99 0.03 117.51 118.82 1xkp h ILE 8 Ca 0.07 -1.15 0.07 0.00 1.00 0.00 0.00 64.86 64.85 1xkp h ILE 8 Cb 0.50 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 1xkp h ILE 8 CO 0.02 0.37 0.30 -1.28 0.00 0.00 0.00 178.15 177.56 1xkp h SER 9 N 0.32 0.40 -0.36 1.72 0.87 -0.31 -1.14 113.55 115.05 1xkp h SER 9 Ca 0.07 0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1xkp h SER 9 Cb 0.59 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1xkp h SER 9 CO 0.03 0.25 -0.19 -0.74 -0.53 0.00 0.00 176.83 175.65 1xkp h HIS 10 N 0.54 0.88 -0.45 2.24 -0.00 -0.70 -0.46 115.15 117.21 1xkp h HIS 10 Ca 0.29 -0.22 0.08 0.00 -0.00 0.00 0.00 60.37 60.52 1xkp h HIS 10 Cb 0.27 -0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 27.41 1xkp h HIS 10 CO -0.11 0.96 0.04 0.35 -0.00 0.00 0.00 177.93 179.17 1xkp h PHE 11 N 0.55 0.06 -0.43 5.26 3.57 -0.76 0.16 116.94 125.35 1xkp h PHE 11 Ca 0.08 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1xkp h PHE 11 Cb 0.74 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1xkp h PHE 11 CO 0.06 -0.05 0.15 0.00 -2.23 0.00 0.00 178.31 176.24 1xkp h GLN 13 N 0.55 0.45 0.00 0.00 5.75 -0.59 -0.01 115.11 121.27 1xkp h GLN 13 Ca 0.14 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1xkp h GLN 13 Cb 0.24 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 1xkp h GLN 13 CO -0.01 0.41 -0.18 -0.44 -2.65 0.00 0.00 178.83 175.96 1xkp h ASP 14 N 0.45 0.00 -0.24 -0.69 3.32 -0.38 -0.15 116.42 118.74 1xkp h ASP 14 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1xkp h ASP 14 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1xkp h ASP 14 CO -0.01 0.18 0.00 0.18 -1.72 0.00 0.00 179.24 177.87 1xkp n LEU 15 N -4.07 1.66 -0.68 1.55 4.77 -0.36 -4.93 117.00 114.94 1xkp n LEU 15 Ca -0.02 -0.76 -0.07 0.00 -0.03 0.00 0.00 56.01 55.12 1xkp n LEU 15 Cb 0.26 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1xkp n LEU 15 CO 0.34 0.38 -0.08 0.61 -1.33 0.00 0.00 177.39 177.31 1xkp n GLY 16 N 1.07 0.58 3.17 -0.72 0.00 -0.07 -5.01 105.19 104.22 1xkp n GLY 16 Ca 0.14 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 1xkp n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xkp s VAL 17 N -2.31 3.77 0.56 1.61 1.01 -0.16 -4.98 120.40 119.91 1xkp s VAL 17 Ca 0.00 -1.87 -0.21 0.00 0.00 0.00 0.00 61.98 59.90 1xkp s VAL 17 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1xkp s VAL 17 CO 0.00 -0.70 1.33 -2.84 0.00 0.00 0.00 175.10 172.89 1xkp s PRO 18 N 1.27 3.04 0.04 2.72 0.02 -1.26 -3.19 135.00 137.64 1xkp s PRO 18 Ca 0.06 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.27 1xkp s PRO 18 Cb -0.24 -2.17 -0.02 0.00 0.02 0.00 0.00 34.50 32.09 1xkp s PRO 18 CO -0.02 -1.24 -0.07 0.95 -0.33 0.00 0.00 177.00 176.28 1xkp s THR 19 N -1.35 0.51 0.10 0.99 -4.23 -1.26 -5.01 115.64 105.40 1xkp s THR 19 Ca 0.74 -1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 60.08 1xkp s THR 19 Cb -0.39 -0.60 -0.06 0.00 1.34 0.00 0.00 72.50 72.79 1xkp s THR 19 CO 0.45 -0.40 0.41 -0.94 -0.54 0.00 0.00 174.62 173.60 1xkp s SER 20 N -1.59 6.61 -0.05 3.99 1.04 -1.26 -5.08 113.70 117.35 1xkp s SER 20 Ca -0.10 0.76 -0.10 0.00 0.48 0.00 0.00 55.95 56.99 1xkp s SER 20 Cb -0.10 -2.16 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 1xkp s SER 20 CO 0.00 0.13 0.26 -0.55 0.98 0.00 0.00 173.24 174.06 1xkp s SER 21 N -1.93 6.56 0.53 7.02 0.15 -1.26 -3.79 113.70 120.98 1xkp s SER 21 Ca 0.36 0.67 -0.13 0.00 0.70 0.00 0.00 55.95 57.54 1xkp s SER 21 Cb -0.13 -2.14 -0.06 0.00 -1.71 0.00 0.00 66.02 61.98 1xkp s SER 21 CO 0.20 0.35 0.95 -2.16 1.20 0.00 0.00 173.24 173.77 1xkp s PRO 22 N -1.18 3.78 0.30 5.44 0.04 -1.26 -5.16 135.00 136.96 1xkp s PRO 22 Ca 0.20 0.74 -0.20 0.00 0.04 0.00 0.00 61.00 61.79 1xkp s PRO 22 Cb -0.14 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1xkp s PRO 22 CO 0.10 -0.32 0.82 -0.51 0.04 0.00 0.00 177.00 177.12 1xkp s LEU 23 N -4.43 4.21 0.70 -3.56 1.43 -1.25 -5.07 118.68 110.71 1xkp s LEU 23 Ca 0.55 1.53 -0.15 0.00 -1.03 0.00 0.00 54.13 55.03 1xkp s LEU 23 Cb -0.10 -3.96 0.03 0.00 0.03 0.00 0.00 46.19 42.18 1xkp s LEU 23 CO 0.39 -0.11 1.19 -0.55 0.23 0.00 0.00 176.35 177.50 1xkp s SER 24 N -1.88 4.45 0.27 2.29 0.15 -1.26 -4.93 113.70 112.80 1xkp s SER 24 Ca 0.50 2.29 0.21 0.00 0.70 0.00 0.00 55.95 59.65 1xkp s SER 24 Cb -0.14 -2.58 1.03 0.00 -1.71 0.00 0.00 66.02 62.61 1xkp s SER 24 CO 0.19 -2.09 1.63 -0.81 1.20 0.00 0.00 173.24 173.37 1xkp n PRO 25 N -2.56 0.15 -3.96 5.44 -0.04 -1.26 -4.35 135.00 128.42 1xkp n PRO 25 Ca 0.13 0.55 -0.29 0.00 -0.04 0.00 0.00 63.50 63.85 1xkp n PRO 25 Cb 0.50 -1.89 -0.16 0.00 -0.04 0.00 0.00 33.50 31.91 1xkp n PRO 25 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xkp s LEU 26 N -4.38 1.65 -0.10 1.53 2.96 -1.26 -0.88 118.68 118.21 1xkp s LEU 26 Ca 0.00 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 1xkp s LEU 26 Cb 0.07 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.69 1xkp s LEU 26 CO 0.25 -0.12 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.43 1xkp s ILE 27 N 1.56 3.37 -0.14 6.68 -1.09 -0.81 -4.98 121.20 125.78 1xkp s ILE 27 Ca 0.03 -0.58 0.02 0.00 -2.23 0.00 0.00 60.65 57.89 1xkp s ILE 27 Cb -0.14 -2.40 0.02 0.00 -1.58 0.00 0.00 42.46 38.36 1xkp s ILE 27 CO -0.09 0.55 -0.18 -1.58 -1.23 0.00 0.00 174.94 172.41 1xkp s GLN 28 N -0.17 2.66 -0.17 2.79 0.74 -1.26 -0.62 119.66 123.63 1xkp s GLN 28 Ca 0.01 -0.71 -0.01 0.00 0.05 0.00 0.00 55.36 54.69 1xkp s GLN 28 Cb -0.13 -2.25 -0.01 0.00 1.10 0.00 0.00 33.01 31.72 1xkp s GLN 28 CO 0.03 -0.11 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.04 1xkp s LEU 29 N 1.08 2.68 -0.26 3.68 1.43 0.12 -4.99 118.68 122.43 1xkp s LEU 29 Ca -0.02 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1xkp s LEU 29 Cb -0.14 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1xkp s LEU 29 CO -0.06 0.08 0.19 -1.61 0.23 0.00 0.00 176.35 175.18 1xkp s GLU 30 N 0.84 4.01 -0.14 1.70 0.41 -1.26 -0.49 118.70 123.77 1xkp s GLU 30 Ca -0.04 -0.27 -0.05 0.00 -0.41 0.00 0.00 54.97 54.20 1xkp s GLU 30 Cb -0.15 -3.60 -0.04 0.00 -1.78 0.00 0.00 34.13 28.56 1xkp s GLU 30 CO 0.00 -0.07 0.05 -1.64 -0.49 0.00 0.00 175.26 173.11 1xkp s MET 31 N 1.43 3.58 0.26 1.61 -1.94 0.10 -5.01 119.30 119.33 1xkp s MET 31 Ca 0.08 -0.34 -0.02 0.00 -1.71 0.00 0.00 55.69 53.69 1xkp s MET 31 Cb -0.15 -3.06 0.44 0.00 2.01 0.00 0.00 34.83 34.07 1xkp s MET 31 CO 0.08 0.48 1.83 0.00 -0.01 0.00 0.00 175.02 177.40 1xkp h ALA 32 N 5.96 1.31 0.00 3.03 0.00 -1.98 -2.78 119.26 124.79 1xkp h ALA 32 Ca -0.43 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.24 1xkp h ALA 32 Cb 1.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1xkp h ALA 32 CO 0.63 0.19 -1.94 1.04 0.00 0.00 0.00 179.25 179.18 1xkp n GLN 33 N -4.67 0.40 0.13 0.00 3.00 -1.26 -4.76 117.38 110.23 1xkp n GLN 33 Ca 0.15 0.11 0.13 0.00 -0.01 0.00 0.00 57.00 57.38 1xkp n GLN 33 Cb 0.28 -1.28 0.40 0.00 0.00 0.00 0.00 30.24 29.65 1xkp n GLN 33 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1xkp h SER 34 N -0.14 0.00 0.00 1.08 0.02 -1.97 -3.49 113.55 109.05 1xkp h SER 34 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1xkp h SER 34 Cb 1.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1xkp h SER 34 CO -0.10 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.20 1xkp n GLY 35 N 0.97 0.21 3.48 -3.77 0.00 -1.05 -4.54 105.19 100.49 1xkp n GLY 35 Ca 0.04 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 1xkp n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xkp s THR 36 N 0.00 4.53 -0.23 2.61 2.01 -0.10 0.00 115.64 124.46 1xkp s THR 36 Ca 0.00 -0.10 -0.09 0.00 0.31 0.00 0.00 61.69 61.81 1xkp s THR 36 Cb 0.00 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 1xkp s THR 36 CO 0.00 0.32 0.13 -0.22 -0.69 0.00 0.00 174.62 174.16 1xkp s LEU 37 N 1.61 3.96 -0.07 4.42 2.96 0.35 -0.57 118.68 131.34 1xkp s LEU 37 Ca 0.06 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1xkp s LEU 37 Cb -0.15 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1xkp s LEU 37 CO 0.05 0.08 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.91 1xkp s GLN 38 N 0.99 2.73 -0.38 1.98 -0.21 0.76 0.13 119.66 125.66 1xkp s GLN 38 Ca 0.06 -0.70 -0.07 0.00 0.02 0.00 0.00 55.36 54.68 1xkp s GLN 38 Cb -0.13 -2.43 0.07 0.00 1.00 0.00 0.00 33.01 31.51 1xkp s GLN 38 CO 0.04 0.51 0.17 -0.51 -2.12 0.00 0.00 175.29 173.38 1xkp s LEU 39 N -0.44 4.76 -0.18 2.90 1.02 0.21 -1.17 118.68 125.78 1xkp s LEU 39 Ca 0.05 -1.42 -0.01 0.00 0.02 0.00 0.00 54.13 52.77 1xkp s LEU 39 Cb -0.12 -1.90 -0.00 0.00 0.02 0.00 0.00 46.19 44.18 1xkp s LEU 39 CO 0.02 -0.44 -0.11 -0.70 0.02 0.00 0.00 176.35 175.14 1xkp s GLU 40 N 1.37 3.30 -0.25 1.70 2.12 0.16 -1.93 118.70 125.17 1xkp s GLU 40 Ca 0.01 -0.69 -0.19 0.00 0.36 0.00 0.00 54.97 54.46 1xkp s GLU 40 Cb -0.21 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 1xkp s GLU 40 CO 0.01 -0.05 0.55 -0.65 -0.54 0.00 0.00 175.26 174.59 1xkp s GLN 41 N 1.02 4.11 -0.05 4.30 -0.21 -0.05 -1.20 119.66 127.56 1xkp s GLN 41 Ca -0.01 0.41 -0.02 0.00 0.02 0.00 0.00 55.36 55.76 1xkp s GLN 41 Cb -0.15 -3.63 0.04 0.00 1.00 0.00 0.00 33.01 30.27 1xkp s GLN 41 CO -0.02 -0.32 0.10 -3.38 -2.12 0.00 0.00 175.29 169.55 1xkp s HIS 42 N 2.22 -0.08 0.00 0.91 -3.43 -0.27 -4.86 115.29 109.78 1xkp s HIS 42 Ca 0.23 0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.88 1xkp s HIS 42 Cb -0.16 -0.24 0.00 0.00 -1.43 0.00 0.00 32.58 30.75 1xkp s HIS 42 CO 0.09 -0.18 0.00 0.41 -2.00 0.00 0.00 174.74 173.06 1xkp n GLY 43 N 4.70 3.86 1.82 -1.38 0.00 -1.26 -0.95 105.19 111.98 1xkp n GLY 43 Ca -0.17 0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1xkp n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkp n ALA 44 N 12.12 5.21 -2.48 4.61 0.00 -1.26 -4.98 120.51 133.72 1xkp n ALA 44 Ca 0.00 -3.22 -0.25 0.00 0.00 0.00 0.00 53.44 49.96 1xkp n ALA 44 Cb 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.20 1xkp n ALA 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xkp s THR 45 N -3.74 1.68 -0.24 0.00 2.01 -0.13 -0.92 115.64 114.29 1xkp s THR 45 Ca 0.53 -1.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 1xkp s THR 45 Cb 0.45 -1.47 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 1xkp s THR 45 CO 0.03 0.19 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.92 1xkp s LEU 46 N -1.24 3.17 -0.14 4.42 2.96 0.93 -1.12 118.68 127.66 1xkp s LEU 46 Ca 0.07 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1xkp s LEU 46 Cb -0.09 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1xkp s LEU 46 CO 0.02 -0.07 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.01 1xkp s THR 47 N 1.47 3.52 -0.28 3.68 2.01 -0.34 0.05 115.64 125.74 1xkp s THR 47 Ca 0.04 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.36 1xkp s THR 47 Cb -0.15 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 1xkp s THR 47 CO -0.02 0.51 0.56 -0.76 -0.69 0.00 0.00 174.62 174.22 1xkp s LEU 48 N 0.35 4.10 -0.17 4.42 1.02 -0.25 -0.66 118.68 127.49 1xkp s LEU 48 Ca -0.07 0.49 -0.02 0.00 0.02 0.00 0.00 54.13 54.54 1xkp s LEU 48 Cb -0.15 -2.72 -0.02 0.00 0.02 0.00 0.00 46.19 43.32 1xkp s LEU 48 CO 0.04 -0.36 -0.07 0.26 0.02 0.00 0.00 176.35 176.24 1xkp s TRP 49 N 2.41 2.93 -0.27 0.29 0.52 -0.32 -1.82 118.94 122.68 1xkp s TRP 49 Ca 0.23 -0.61 0.02 0.00 0.02 0.00 0.00 56.10 55.76 1xkp s TRP 49 Cb -0.15 -1.96 0.07 0.00 -1.15 0.00 0.00 33.47 30.28 1xkp s TRP 49 CO 0.10 -0.25 -0.03 -1.17 0.02 0.00 0.00 176.95 175.62 1xkp s LEU 50 N 0.69 3.35 -0.10 2.99 2.96 0.24 -0.17 118.68 128.65 1xkp s LEU 50 Ca -0.04 -1.53 -0.00 0.00 -0.22 0.00 0.00 54.13 52.34 1xkp s LEU 50 Cb -0.15 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1xkp s LEU 50 CO 0.02 -0.27 -0.07 0.00 -1.32 0.00 0.00 176.35 174.71 1xkp s ALA 51 N 1.20 2.92 -0.03 5.97 0.00 0.27 -1.05 121.76 131.03 1xkp s ALA 51 Ca -0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 1xkp s ALA 51 Cb -0.19 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.66 1xkp s ALA 51 CO -0.08 0.42 0.06 0.50 0.00 0.00 0.00 175.76 176.67 1xkp s ARG 52 N -0.30 -0.01 0.06 0.00 3.52 -0.11 -0.93 118.95 121.18 1xkp s ARG 52 Ca 0.04 0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 55.60 1xkp s ARG 52 Cb -0.13 -0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 32.96 1xkp s ARG 52 CO 0.02 -0.19 0.98 -1.12 -0.81 0.00 0.00 175.30 174.19 1xkp s SER 53 N 1.24 7.41 0.04 -2.12 0.01 -1.26 -1.11 113.70 117.92 1xkp s SER 53 Ca -0.07 1.75 0.06 0.00 1.31 0.00 0.00 55.95 58.99 1xkp s SER 53 Cb -0.13 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 1xkp s SER 53 CO -0.04 -0.18 -0.13 -0.76 0.41 0.00 0.00 173.24 172.54 1xkp s LEU 54 N 0.52 2.88 0.60 2.44 1.43 0.32 -4.96 118.68 121.91 1xkp s LEU 54 Ca 0.50 -0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.08 1xkp s LEU 54 Cb -0.23 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1xkp s LEU 54 CO 0.29 0.25 1.30 0.00 0.23 0.00 0.00 176.35 178.42 1xkp s ALA 55 N -1.00 2.57 0.31 4.21 0.00 -1.26 -4.85 121.76 121.73 1xkp s ALA 55 Ca 0.17 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.39 1xkp s ALA 55 Cb -0.11 -3.54 0.66 0.00 0.00 0.00 0.00 23.12 20.14 1xkp s ALA 55 CO 0.08 -1.42 1.84 0.11 0.00 0.00 0.00 175.76 176.36 1xkp h TRP 56 N 0.96 1.03 0.00 0.00 5.08 -1.99 0.55 115.95 121.58 1xkp h TRP 56 Ca -0.51 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.49 1xkp h TRP 56 Cb 1.32 -0.33 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1xkp h TRP 56 CO 0.44 0.38 0.00 -2.39 -1.28 0.00 0.00 178.44 175.59 1xkp n HIS 57 N -4.62 0.00 0.75 0.12 1.44 -1.26 -2.66 115.22 108.99 1xkp n HIS 57 Ca 0.19 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.98 1xkp n HIS 57 Cb 0.42 -0.20 -0.02 0.00 0.12 0.00 0.00 29.99 30.31 1xkp n HIS 57 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xkp n ARG 58 N -1.20 1.65 0.02 -1.40 1.74 0.18 -4.75 116.66 112.91 1xkp n ARG 58 Ca 0.14 -0.62 -0.19 0.00 -0.77 0.00 0.00 57.85 56.42 1xkp n ARG 58 Cb 0.16 -1.29 -0.12 0.00 -1.02 0.00 0.00 32.46 30.19 1xkp n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xkp h GLU 60 N -0.18 0.22 -0.39 0.00 4.81 -1.85 -1.35 114.58 115.84 1xkp h GLU 60 Ca -0.10 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1xkp h GLU 60 Cb 1.45 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.77 1xkp h GLU 60 CO 0.14 0.27 -0.14 -0.44 -0.73 0.00 0.00 179.01 178.11 1xkp h ASP 61 N 0.12 0.69 -0.25 1.04 3.32 -1.89 -2.41 116.42 117.04 1xkp h ASP 61 Ca 0.05 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1xkp h ASP 61 Cb 0.12 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1xkp h ASP 61 CO -0.01 0.85 0.08 0.00 -1.72 0.00 0.00 179.24 178.44 1xkp h ALA 62 N 1.22 0.33 -0.05 3.45 0.00 -1.43 -3.04 119.26 119.73 1xkp h ALA 62 Ca 0.11 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xkp h ALA 62 Cb 0.59 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1xkp h ALA 62 CO 0.04 -0.05 -0.36 0.52 0.00 0.00 0.00 179.25 179.40 1xkp h MET 63 N 0.25 -0.47 -0.34 0.00 2.86 -1.10 0.55 114.93 116.68 1xkp h MET 63 Ca 0.08 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1xkp h MET 63 Cb 0.23 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1xkp h MET 63 CO -0.00 -0.31 0.00 0.28 1.06 0.00 0.00 176.91 177.94 1xkp n VAL 64 N -5.43 0.01 0.00 -2.22 0.31 -0.92 -1.83 118.33 108.25 1xkp n VAL 64 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1xkp n VAL 64 Cb 0.34 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 1xkp n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xkp n ALA 66 N 0.56 0.00 -0.06 3.52 0.00 0.18 -1.07 120.51 123.64 1xkp n ALA 66 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1xkp n ALA 66 Cb 0.01 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.54 1xkp n ALA 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xkp h LEU 67 N 0.00 0.75 -0.23 0.00 3.38 -1.59 -2.83 115.31 114.79 1xkp h LEU 67 Ca 0.00 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 1xkp h LEU 67 Cb 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1xkp h LEU 67 CO 0.00 1.00 -0.32 0.74 0.09 0.00 0.00 178.44 179.94 1xkp h THR 68 N 0.62 1.32 -0.00 0.22 2.02 -1.36 -3.28 112.91 112.45 1xkp h THR 68 Ca 0.07 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.73 1xkp h THR 68 Cb 0.81 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1xkp h THR 68 CO 0.07 0.48 -0.07 0.18 0.37 0.00 0.00 175.52 176.55 1xkp n LEU 69 N -4.28 0.39 -0.73 2.58 4.77 -1.21 -3.01 117.00 115.50 1xkp n LEU 69 Ca -0.05 0.02 0.10 0.00 -0.03 0.00 0.00 56.01 56.05 1xkp n LEU 69 Cb 0.49 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1xkp n LEU 69 CO 0.45 0.07 0.51 0.35 -1.33 0.00 0.00 177.39 177.44 1xkp n THR 70 N -0.95 0.00 -1.71 -5.08 -2.24 -1.07 -4.50 114.28 98.74 1xkp n THR 70 Ca 0.16 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 1xkp n THR 70 Cb 0.25 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1xkp n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xkp n ALA 71 N 0.89 1.44 -0.29 6.98 0.00 -1.16 -4.82 120.51 123.54 1xkp n ALA 71 Ca 0.11 0.30 0.08 0.00 0.00 0.00 0.00 53.44 53.93 1xkp n ALA 71 Cb 0.48 -2.28 0.24 0.00 0.00 0.00 0.00 19.45 17.88 1xkp n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xkp h ALA 72 N 2.33 1.27 0.00 0.00 0.00 -1.93 -2.54 119.26 118.40 1xkp h ALA 72 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xkp h ALA 72 Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xkp h ALA 72 CO 0.61 -0.17 0.00 0.94 0.00 0.00 0.00 179.25 180.63 1xkp n GLN 73 N -4.94 0.00 -1.48 0.00 7.27 -1.26 -4.77 117.38 112.21 1xkp n GLN 73 Ca 0.18 0.00 0.19 0.00 0.07 0.00 0.00 57.00 57.44 1xkp n GLN 73 Cb 0.48 -1.27 -0.07 0.00 2.41 0.00 0.00 30.24 31.79 1xkp n GLN 73 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1xkp n SER 75 N 0.80 -8.84 0.00 1.69 7.64 -0.96 -5.18 113.62 108.77 1xkp n SER 75 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1xkp n SER 75 Cb 0.00 -4.81 0.00 0.00 -1.01 0.00 0.00 64.21 58.39 1xkp n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xkp n GLY 76 N -4.36 2.15 0.22 0.23 0.00 -1.26 -4.99 105.19 97.18 1xkp n GLY 76 Ca -0.04 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.24 1xkp n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkp h ALA 77 N -0.85 1.02 -3.22 4.61 0.00 -2.03 -3.45 119.26 115.35 1xkp h ALA 77 Ca 0.00 -0.20 -0.65 0.00 0.00 0.00 0.00 54.91 54.05 1xkp h ALA 77 Cb 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.64 1xkp h ALA 77 CO 0.00 0.28 -0.61 -0.51 0.00 0.00 0.00 179.25 178.41 1xkp s LEU 78 N -6.78 3.73 -1.44 0.00 1.43 -1.26 -5.02 118.68 109.33 1xkp s LEU 78 Ca 0.01 0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1xkp s LEU 78 Cb 0.10 -2.24 0.05 0.00 0.03 0.00 0.00 46.19 44.14 1xkp s LEU 78 CO 0.64 0.24 2.25 -0.81 0.23 0.00 0.00 176.35 178.90 1xkp n PRO 79 N 1.03 3.15 -2.30 1.29 -0.04 -1.26 -4.96 135.00 131.91 1xkp n PRO 79 Ca -0.12 -2.77 -0.41 0.00 -0.04 0.00 0.00 63.50 60.17 1xkp n PRO 79 Cb 0.52 -3.14 -0.03 0.00 -0.04 0.00 0.00 33.50 30.81 1xkp n PRO 79 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xkp s LEU 80 N 1.37 4.48 0.20 1.53 1.43 -1.26 -4.56 118.68 121.87 1xkp s LEU 80 Ca 0.48 2.43 0.05 0.00 -1.03 0.00 0.00 54.13 56.06 1xkp s LEU 80 Cb 0.14 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 1xkp s LEU 80 CO -0.07 -0.36 -0.07 -0.13 0.23 0.00 0.00 176.35 175.96 1xkp s ARG 81 N -1.24 1.26 0.04 1.70 0.52 0.12 -4.86 118.95 116.49 1xkp s ARG 81 Ca 0.49 -1.59 0.07 0.00 -0.52 0.00 0.00 55.73 54.17 1xkp s ARG 81 Cb -0.35 -0.76 -0.02 0.00 0.52 0.00 0.00 34.95 34.33 1xkp s ARG 81 CO 0.44 0.03 -0.19 0.00 0.02 0.00 0.00 175.30 175.60 1xkp s ALA 82 N -3.27 1.59 0.00 2.13 0.00 -1.26 -0.92 121.76 120.02 1xkp s ALA 82 Ca 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1xkp s ALA 82 Cb 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1xkp s ALA 82 CO 0.06 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.58 1xkp n GLY 83 N 1.92 2.85 3.34 0.00 0.00 0.87 -5.01 105.19 109.16 1xkp n GLY 83 Ca -0.17 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.59 1xkp n GLY 83 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xkp s TRP 84 N -5.75 -0.38 -0.11 1.61 -0.11 -1.26 -1.75 118.94 111.19 1xkp s TRP 84 Ca 0.00 0.70 -0.00 0.00 1.22 0.00 0.00 56.10 58.02 1xkp s TRP 84 Cb 0.00 0.20 0.02 0.00 -1.50 0.00 0.00 33.47 32.19 1xkp s TRP 84 CO 0.00 -0.42 -0.08 -1.17 -4.62 0.00 0.00 176.95 170.66 1xkp s LEU 85 N -0.97 1.22 0.00 5.86 2.96 -0.37 -4.91 118.68 122.48 1xkp s LEU 85 Ca -0.10 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1xkp s LEU 85 Cb -0.03 -0.82 0.00 0.00 0.50 0.00 0.00 46.19 45.84 1xkp s LEU 85 CO 0.05 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 1xkp n GLY 86 N 4.80 1.02 0.12 7.98 0.00 -1.26 -2.47 105.19 115.38 1xkp n GLY 86 Ca -0.14 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 1xkp n GLY 86 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xkp h GLU 87 N 0.00 0.07 0.00 1.61 9.09 -2.02 -3.41 114.58 119.92 1xkp h GLU 87 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xkp h GLU 87 Cb 0.00 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.08 1xkp h GLU 87 CO 0.00 0.04 0.00 -1.13 0.05 0.00 0.00 179.01 177.97 1xkp n SER 88 N -5.16 0.00 -4.51 3.06 3.41 -1.24 -5.05 113.62 104.14 1xkp n SER 88 Ca -0.01 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 1xkp n SER 88 Cb 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 1xkp n SER 88 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xkp s GLN 89 N 0.00 3.29 0.05 4.33 -0.21 -1.03 -0.52 119.66 125.57 1xkp s GLN 89 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 55.36 54.37 1xkp s GLN 89 Cb 0.00 -3.88 -0.05 0.00 1.00 0.00 0.00 33.01 30.07 1xkp s GLN 89 CO 0.00 -0.63 1.16 -1.17 -2.12 0.00 0.00 175.29 172.53 1xkp s LEU 90 N 1.88 4.37 -0.15 2.90 2.96 -0.27 -1.23 118.68 129.13 1xkp s LEU 90 Ca 0.09 1.95 0.02 0.00 -0.22 0.00 0.00 54.13 55.96 1xkp s LEU 90 Cb -0.18 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.95 1xkp s LEU 90 CO 0.11 -0.44 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.81 1xkp s VAL 91 N 1.11 1.97 -0.02 1.68 1.01 -0.72 -0.93 120.40 124.49 1xkp s VAL 91 Ca 0.57 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1xkp s VAL 91 Cb -0.28 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1xkp s VAL 91 CO 0.29 0.53 -0.16 -0.76 0.00 0.00 0.00 175.10 174.99 1xkp s LEU 92 N 1.06 2.65 0.08 3.92 1.43 -0.22 -0.09 118.68 127.51 1xkp s LEU 92 Ca -0.02 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 1xkp s LEU 92 Cb -0.14 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.58 1xkp s LEU 92 CO -0.07 0.32 0.41 0.72 0.23 0.00 0.00 176.35 177.97 1xkp s PHE 93 N -0.77 -0.24 -0.12 0.29 -0.12 -0.10 -0.59 117.98 116.32 1xkp s PHE 93 Ca 0.12 0.08 -0.08 0.00 -0.05 0.00 0.00 56.93 57.00 1xkp s PHE 93 Cb -0.11 0.24 0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1xkp s PHE 93 CO 0.02 -0.64 0.31 0.54 -0.05 0.00 0.00 175.22 175.40 1xkp s VAL 94 N -3.10 -0.02 -0.15 -2.49 0.11 -0.76 0.13 120.40 114.14 1xkp s VAL 94 Ca -0.01 0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 1xkp s VAL 94 Cb 0.00 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1xkp s VAL 94 CO -0.07 0.03 0.12 -0.44 -3.33 0.00 0.00 175.10 171.41 1xkp s SER 95 N 0.79 6.21 -0.08 3.54 0.01 -1.26 -1.09 113.70 121.82 1xkp s SER 95 Ca -0.05 0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.60 1xkp s SER 95 Cb -0.06 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1xkp s SER 95 CO -0.05 0.32 -0.20 -0.76 0.41 0.00 0.00 173.24 172.96 1xkp s LEU 96 N -0.50 1.95 0.05 2.44 1.43 0.11 -4.89 118.68 119.27 1xkp s LEU 96 Ca 0.12 -0.47 -0.31 0.00 -1.03 0.00 0.00 54.13 52.45 1xkp s LEU 96 Cb -0.12 -1.21 -0.07 0.00 0.03 0.00 0.00 46.19 44.82 1xkp s LEU 96 CO 0.02 0.14 1.57 -0.62 0.23 0.00 0.00 176.35 177.69 1xkp s ASP 97 N 0.34 6.68 0.34 2.29 -1.08 -1.26 -0.05 116.67 123.92 1xkp s ASP 97 Ca -0.15 2.37 0.02 0.00 -0.52 0.00 0.00 52.55 54.28 1xkp s ASP 97 Cb -0.16 -2.56 0.61 0.00 -1.46 0.00 0.00 42.92 39.35 1xkp s ASP 97 CO 0.06 -0.83 1.98 -0.08 0.52 0.00 0.00 175.17 176.82 1xkp h GLU 98 N 8.15 0.88 0.00 4.34 4.81 -1.36 -2.68 114.58 128.73 1xkp h GLU 98 Ca -0.41 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1xkp h GLU 98 Cb 1.19 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1xkp h GLU 98 CO 0.92 0.58 0.00 0.07 -0.73 0.00 0.00 179.01 179.85 1xkp h ARG 99 N 0.90 0.00 0.00 1.92 0.11 -1.91 -2.82 114.38 112.59 1xkp h ARG 99 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 1xkp h ARG 99 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1xkp h ARG 99 CO -0.08 0.00 -0.07 -1.13 0.10 0.00 0.00 179.97 178.79 1xkp n SER 100 N -2.52 1.88 -4.75 0.08 3.41 -1.03 -5.06 113.62 105.63 1xkp n SER 100 Ca 0.02 -2.68 -0.41 0.00 -0.26 0.00 0.00 58.87 55.54 1xkp n SER 100 Cb 0.27 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1xkp n SER 100 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1xkp s LEU 101 N -2.06 4.47 0.14 1.04 2.96 -1.07 -5.00 118.68 119.16 1xkp s LEU 101 Ca 0.21 2.40 0.02 0.00 -0.22 0.00 0.00 54.13 56.54 1xkp s LEU 101 Cb 0.18 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 1xkp s LEU 101 CO 0.02 -0.37 -0.04 0.42 -1.32 0.00 0.00 176.35 175.06 1xkp s THR 102 N -0.65 0.73 0.17 3.68 -4.23 -1.26 -5.05 115.64 109.03 1xkp s THR 102 Ca 0.50 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.90 1xkp s THR 102 Cb -0.35 -1.89 0.06 0.00 1.34 0.00 0.00 72.50 71.66 1xkp s THR 102 CO 0.43 -0.68 1.80 0.25 -0.54 0.00 0.00 174.62 175.87 1xkp h LEU 103 N 2.83 0.65 -1.41 4.79 5.85 -1.96 -1.39 115.31 124.67 1xkp h LEU 103 Ca -0.36 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.31 1xkp h LEU 103 Cb 1.19 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1xkp h LEU 103 CO 0.64 0.53 0.41 -0.65 -0.34 0.00 0.00 178.44 179.02 1xkp h PRO 104 N 0.71 0.78 -0.06 5.25 0.11 -1.99 -0.63 132.00 136.17 1xkp h PRO 104 Ca 0.19 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1xkp h PRO 104 Cb 0.01 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 1xkp h PRO 104 CO -0.03 0.51 0.02 1.25 -0.21 0.00 0.00 178.00 179.54 1xkp h LEU 105 N 0.80 0.09 -0.59 2.35 5.85 -1.86 -1.59 115.31 120.36 1xkp h LEU 105 Ca 0.24 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1xkp h LEU 105 Cb -0.03 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1xkp h LEU 105 CO -0.06 0.28 0.27 0.25 -0.34 0.00 0.00 178.44 178.84 1xkp h LEU 106 N -0.10 0.35 -0.99 2.25 5.85 -0.98 -0.19 115.31 121.49 1xkp h LEU 106 Ca 0.02 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1xkp h LEU 106 Cb 0.22 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1xkp h LEU 106 CO -0.00 0.22 0.56 0.45 -0.34 0.00 0.00 178.44 179.34 1xkp h HIS 107 N 0.50 1.22 -0.00 1.25 3.86 -0.88 -1.94 115.15 119.16 1xkp h HIS 107 Ca 0.28 -0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.30 1xkp h HIS 107 Cb 0.26 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1xkp h HIS 107 CO -0.12 0.81 -0.85 1.96 0.86 0.00 0.00 177.93 180.58 1xkp h GLN 108 N 1.28 0.18 -0.06 2.45 1.08 -0.79 -0.79 115.11 118.47 1xkp h GLN 108 Ca 0.33 -0.19 0.02 0.00 -1.45 0.00 0.00 58.65 57.36 1xkp h GLN 108 Cb -0.06 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1xkp h GLN 108 CO -0.06 0.93 -0.05 0.00 -0.95 0.00 0.00 178.83 178.69 1xkp h ALA 109 N 1.01 -0.00 -0.15 3.87 0.00 -0.79 0.10 119.26 123.30 1xkp h ALA 109 Ca -0.04 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xkp h ALA 109 Cb 1.47 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1xkp h ALA 109 CO 0.13 -0.53 -0.05 0.35 0.00 0.00 0.00 179.25 179.16 1xkp h PHE 110 N -0.06 -0.10 -0.27 0.00 3.57 -1.26 -1.40 116.94 117.42 1xkp h PHE 110 Ca 0.04 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1xkp h PHE 110 Cb 0.12 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1xkp h PHE 110 CO -0.15 -0.08 -0.26 0.93 -2.23 0.00 0.00 178.31 176.53 1xkp h GLU 111 N -0.01 0.54 0.00 1.11 5.08 -0.89 -2.02 114.58 118.39 1xkp h GLU 111 Ca 0.08 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.08 1xkp h GLU 111 Cb 0.13 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1xkp h GLU 111 CO -0.17 0.75 -0.71 1.96 -1.00 0.00 0.00 179.01 179.84 1xkp h GLN 112 N 0.47 0.00 -0.46 2.33 1.08 -0.63 -0.97 115.11 116.93 1xkp h GLN 112 Ca 0.07 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 1xkp h GLN 112 Cb 0.70 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.12 1xkp h GLN 112 CO 0.05 0.71 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.55 1xkp h LEU 113 N 0.00 0.81 -0.48 1.46 3.38 -0.95 -1.63 115.31 117.91 1xkp h LEU 113 Ca -0.01 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1xkp h LEU 113 Cb 1.50 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1xkp h LEU 113 CO 0.09 0.94 -0.00 -0.07 0.09 0.00 0.00 178.44 179.49 1xkp h LEU 114 N 0.67 0.83 -0.29 1.67 3.38 -1.16 -0.74 115.31 119.66 1xkp h LEU 114 Ca 0.13 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1xkp h LEU 114 Cb 0.54 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1xkp h LEU 114 CO 0.03 0.93 0.13 0.03 0.09 0.00 0.00 178.44 179.65 1xkp h ARG 115 N 0.70 0.28 0.02 1.13 3.08 -1.15 -1.28 114.38 117.16 1xkp h ARG 115 Ca 0.13 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1xkp h ARG 115 Cb 0.51 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1xkp h ARG 115 CO 0.02 0.18 -0.15 1.25 -1.07 0.00 0.00 179.97 180.21 1xkp h LEU 116 N 0.28 -0.43 -0.79 3.04 5.85 -1.18 -0.89 115.31 121.21 1xkp h LEU 116 Ca 0.12 0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.06 1xkp h LEU 116 Cb 0.05 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.16 1xkp h LEU 116 CO -0.10 -0.21 0.33 -0.61 -0.34 0.00 0.00 178.44 177.51 1xkp h GLN 117 N -0.26 0.45 -0.49 1.25 4.15 -0.93 0.17 115.11 119.44 1xkp h GLN 117 Ca 0.04 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 1xkp h GLN 117 Cb 0.31 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1xkp h GLN 117 CO -0.13 0.30 0.20 1.96 -1.93 0.00 0.00 178.83 179.23 1xkp h GLN 118 N 0.46 0.72 -0.60 1.69 4.20 -0.72 -1.35 115.11 119.51 1xkp h GLN 118 Ca 0.44 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.93 1xkp h GLN 118 Cb 0.69 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1xkp h GLN 118 CO -0.42 0.64 -0.02 0.93 -0.67 0.00 0.00 178.83 179.28 1xkp h GLU 119 N 0.64 1.07 -0.60 1.46 4.39 -0.71 -1.26 114.58 119.57 1xkp h GLU 119 Ca 0.16 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 1xkp h GLU 119 Cb 0.18 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1xkp h GLU 119 CO -0.02 1.05 0.37 0.28 -1.16 0.00 0.00 179.01 179.54 1xkp h VAL 120 N 0.97 1.17 -0.01 3.13 2.07 -0.33 -3.12 116.25 120.12 1xkp h VAL 120 Ca 0.17 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1xkp h VAL 120 Cb 0.59 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1xkp h VAL 120 CO 0.04 0.17 -0.54 0.18 0.02 0.00 0.00 177.57 177.44 1xkp n LEU 121 N -4.42 1.80 0.00 2.57 4.77 -0.54 -4.54 117.00 116.63 1xkp n LEU 121 Ca 0.06 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1xkp n LEU 121 Cb 0.06 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1xkp n LEU 121 CO 0.36 0.34 0.16 0.00 -1.33 0.00 0.00 177.39 176.93