#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqa s MET 3 N 0.00 1.43 0.33 3.52 0.23 -1.26 -5.15 119.30 118.40 1kqa s MET 3 Ca 0.00 -0.88 -0.22 0.00 -1.03 0.00 0.00 55.69 53.56 1kqa s MET 3 Cb 0.00 0.53 -0.15 0.00 -1.53 0.00 0.00 34.83 33.68 1kqa s MET 3 CO 0.00 -0.61 0.19 -2.30 -2.03 0.00 0.00 175.02 170.27 1kqa n PRO 4 N -0.36 0.00 -0.17 3.16 -0.02 -1.26 -4.71 135.00 131.64 1kqa n PRO 4 Ca -0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.30 1kqa n PRO 4 Cb 0.62 -0.95 0.01 0.00 -0.02 0.00 0.00 33.50 33.16 1kqa n PRO 4 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1kqa h MET 5 N 0.47 0.74 0.00 -0.52 2.86 -1.98 -2.48 114.93 114.02 1kqa h MET 5 Ca -0.33 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 1kqa h MET 5 Cb 1.37 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 1kqa h MET 5 CO 0.47 0.68 -0.04 1.15 1.06 0.00 0.00 176.91 180.23 1kqa h THR 6 N 0.64 0.96 0.01 2.22 2.02 -1.94 -2.41 112.91 114.42 1kqa h THR 6 Ca 0.16 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1kqa h THR 6 Cb 0.23 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1kqa h THR 6 CO -0.01 0.04 -0.01 -0.33 0.37 0.00 0.00 175.52 175.58 1kqa h GLU 7 N 0.00 -0.02 -0.95 6.66 5.08 -1.84 -2.95 114.58 120.55 1kqa h GLU 7 Ca -0.00 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.60 1kqa h GLU 7 Cb 0.07 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.20 1kqa h GLU 7 CO 0.00 0.63 0.49 0.00 -1.00 0.00 0.00 179.01 179.14 1kqa h ARG 8 N -0.68 0.46 0.15 2.33 2.47 -1.06 0.13 114.38 118.18 1kqa h ARG 8 Ca -0.00 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1kqa h ARG 8 Cb 0.65 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1kqa h ARG 8 CO 0.00 0.30 -0.17 0.82 0.56 0.00 0.00 179.97 181.49 1kqa h ILE 9 N 0.47 0.00 -0.62 2.04 2.04 -1.41 0.36 117.51 120.39 1kqa h ILE 9 Ca 0.61 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.65 1kqa h ILE 9 Cb 1.18 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1kqa h ILE 9 CO -0.51 0.00 0.55 0.03 0.00 0.00 0.00 178.15 178.22 1kqa h ARG 10 N -0.33 0.00 -0.15 2.37 3.08 -0.99 0.81 114.38 119.17 1kqa h ARG 10 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1kqa h ARG 10 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1kqa h ARG 10 CO -0.03 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.87 1kqa n ALA 11 N -2.48 2.51 -2.98 0.04 0.00 0.33 -4.93 120.51 112.99 1kqa n ALA 11 Ca 0.12 -0.60 -0.16 0.00 0.00 0.00 0.00 53.44 52.81 1kqa n ALA 11 Cb 0.79 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 19.23 1kqa n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kqa n GLY 12 N 1.22 -0.11 3.73 0.00 0.00 0.28 -5.02 105.19 105.30 1kqa n GLY 12 Ca 0.17 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1kqa n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kqa s LYS 13 N -5.57 2.63 0.33 1.61 1.02 0.11 -4.89 119.74 114.98 1kqa s LYS 13 Ca 0.29 -1.05 -0.29 0.00 0.02 0.00 0.00 55.97 54.94 1kqa s LYS 13 Cb -0.13 -2.47 -0.11 0.00 -0.52 0.00 0.00 37.83 34.61 1kqa s LYS 13 CO 0.36 0.45 1.50 -0.51 -0.92 0.00 0.00 175.35 176.23 1kqa s LEU 14 N -3.18 4.34 0.19 3.17 1.43 -1.26 -4.33 118.68 119.04 1kqa s LEU 14 Ca 0.30 2.94 -0.16 0.00 -1.03 0.00 0.00 54.13 56.18 1kqa s LEU 14 Cb -0.09 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.50 1kqa s LEU 14 CO 0.21 -0.84 0.47 0.72 0.23 0.00 0.00 176.35 177.14 1kqa s PHE 15 N -0.61 0.00 0.20 0.29 -0.71 0.44 -4.92 117.98 112.67 1kqa s PHE 15 Ca 0.57 -0.35 0.10 0.00 -1.04 0.00 0.00 56.93 56.21 1kqa s PHE 15 Cb -0.46 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 1kqa s PHE 15 CO 0.55 -0.88 -0.21 0.95 -1.34 0.00 0.00 175.22 174.29 1kqa s THR 16 N -3.90 2.18 -0.51 -4.49 -4.23 -1.26 -0.37 115.64 103.07 1kqa s THR 16 Ca 0.11 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.64 1kqa s THR 16 Cb -0.00 -2.06 0.37 0.00 1.34 0.00 0.00 72.50 72.15 1kqa s THR 16 CO -0.02 -0.23 0.96 -0.90 -0.54 0.00 0.00 174.62 173.89 1kqa n ASP 17 N 0.14 3.90 -0.50 3.99 5.75 -1.26 -4.75 116.55 123.83 1kqa n ASP 17 Ca -0.12 -3.55 0.06 0.00 -0.01 0.00 0.00 54.79 51.17 1kqa n ASP 17 Cb 0.57 -0.54 0.19 0.00 -1.03 0.00 0.00 41.12 40.30 1kqa n ASP 17 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1kqa n MET 18 N -0.22 1.64 -1.16 0.11 2.81 -1.26 -4.36 117.12 114.67 1kqa n MET 18 Ca 0.31 -2.96 0.00 0.00 -1.81 0.00 0.00 57.70 53.24 1kqa n MET 18 Cb 0.51 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1kqa n MET 18 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kqa n GLU 20 N 0.00 -2.05 -0.99 0.00 1.02 -1.26 -0.62 120.64 116.73 1kqa n GLU 20 Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1kqa n GLU 20 Cb 0.00 -4.86 0.00 0.00 -0.02 0.00 0.00 31.44 26.56 1kqa n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kqa n GLY 21 N -0.52 0.63 0.15 0.62 0.00 -1.26 -4.93 105.19 99.87 1kqa n GLY 21 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1kqa n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kqa h LEU 22 N 0.00 0.35 -0.76 0.99 3.38 -1.19 -1.69 115.31 116.40 1kqa h LEU 22 Ca 0.00 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1kqa h LEU 22 Cb 0.04 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1kqa h LEU 22 CO 0.00 0.26 0.48 -0.65 0.09 0.00 0.00 178.44 178.62 1kqa h PRO 23 N 0.42 0.91 -0.54 1.13 0.11 -1.77 -1.00 132.00 131.27 1kqa h PRO 23 Ca 0.12 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 1kqa h PRO 23 Cb -0.04 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.84 1kqa h PRO 23 CO -0.03 0.60 0.01 0.93 -0.21 0.00 0.00 178.00 179.30 1kqa h GLU 24 N 0.94 0.92 -0.85 1.05 3.07 -1.90 -0.98 114.58 116.83 1kqa h GLU 24 Ca 0.31 -0.27 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1kqa h GLU 24 Cb 0.02 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.79 1kqa h GLU 24 CO -0.11 0.91 0.49 -0.22 -1.40 0.00 0.00 179.01 178.67 1kqa h LYS 25 N 0.85 1.18 -0.57 2.33 3.64 -0.76 -2.18 116.57 121.06 1kqa h LYS 25 Ca 0.16 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1kqa h LYS 25 Cb 0.50 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1kqa h LYS 25 CO 0.02 0.85 0.10 0.00 -2.27 0.00 0.00 179.45 178.15 1kqa h ARG 26 N 1.19 0.95 -0.53 1.90 3.08 -0.68 -2.85 114.38 117.44 1kqa h ARG 26 Ca 0.30 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1kqa h ARG 26 Cb 0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1kqa h ARG 26 CO -0.05 0.90 0.24 1.25 -1.07 0.00 0.00 179.97 181.24 1kqa h LEU 27 N 0.85 0.67 -0.44 3.04 5.85 -0.57 0.68 115.31 125.39 1kqa h LEU 27 Ca 0.17 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1kqa h LEU 27 Cb 0.41 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1kqa h LEU 27 CO 0.01 0.59 -0.10 0.03 -0.34 0.00 0.00 178.44 178.63 1kqa h ARG 28 N 0.75 0.84 0.57 1.25 3.08 -1.37 -1.59 114.38 117.91 1kqa h ARG 28 Ca 0.18 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1kqa h ARG 28 Cb 0.11 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1kqa h ARG 28 CO -0.02 0.95 -0.30 0.78 -1.07 0.00 0.00 179.97 180.31 1kqa h GLY 29 N 0.67 -0.89 1.54 0.04 0.00 -1.12 -1.42 103.07 101.89 1kqa h GLY 29 Ca 0.11 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1kqa h GLY 29 CO 0.04 -0.32 0.18 0.50 0.00 0.00 0.00 176.54 176.95 1kqa h LYS 30 N -0.80 0.00 0.00 4.80 1.79 -0.94 0.14 116.57 121.56 1kqa h LYS 30 Ca -0.08 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1kqa h LYS 30 Cb 0.62 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1kqa h LYS 30 CO 0.11 0.00 -0.11 1.15 -1.08 0.00 0.00 179.45 179.53 1kqa h THR 31 N 0.00 1.62 -0.29 -0.16 2.02 -0.78 -1.56 112.91 113.76 1kqa h THR 31 Ca 0.00 -2.26 -0.07 0.00 0.77 0.00 0.00 66.41 64.85 1kqa h THR 31 Cb 0.37 3.11 -0.02 0.00 -1.74 0.00 0.00 68.15 69.87 1kqa h THR 31 CO 0.00 0.55 -0.13 -0.07 0.37 0.00 0.00 175.52 176.24 1kqa h LEU 32 N -1.00 0.49 0.05 2.58 3.38 -0.13 -1.80 115.31 118.87 1kqa h LEU 32 Ca -0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1kqa h LEU 32 Cb 0.97 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1kqa h LEU 32 CO -0.02 0.65 -0.02 -0.03 0.09 0.00 0.00 178.44 179.11 1kqa h MET 33 N 0.46 -0.06 -0.62 1.13 4.05 -0.86 -0.78 114.93 118.25 1kqa h MET 33 Ca 0.09 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.57 1kqa h MET 33 Cb 0.50 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.26 1kqa h MET 33 CO 0.03 0.01 0.33 -0.92 0.23 0.00 0.00 176.91 176.59 1kqa h TYR 34 N -0.11 0.60 -0.31 1.39 5.03 -0.94 0.23 116.97 122.86 1kqa h TYR 34 Ca -0.01 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1kqa h TYR 34 Cb 0.10 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 1kqa h TYR 34 CO -0.06 0.27 0.13 0.93 -1.32 0.00 0.00 178.16 178.11 1kqa h GLU 35 N 0.61 0.42 0.02 1.82 5.08 -1.01 -0.80 114.58 120.73 1kqa h GLU 35 Ca 0.28 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1kqa h GLU 35 Cb 0.20 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1kqa h GLU 35 CO -0.19 0.35 -0.01 0.35 -1.00 0.00 0.00 179.01 178.50 1kqa h PHE 36 N 0.43 -0.03 -0.55 4.33 3.57 0.32 -2.85 116.94 122.16 1kqa h PHE 36 Ca 0.11 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.67 1kqa h PHE 36 Cb 0.08 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1kqa h PHE 36 CO 0.00 0.69 0.36 -0.91 -2.23 0.00 0.00 178.31 176.22 1kqa h ASN 37 N -0.93 0.44 0.03 0.41 4.21 -0.49 -1.97 115.58 117.28 1kqa h ASN 37 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1kqa h ASN 37 Cb 0.73 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 1kqa h ASN 37 CO 0.01 0.29 -0.12 1.41 -1.29 0.00 0.00 177.43 177.73 1kqa n HIS 38 N -4.47 0.00 -0.52 1.19 8.25 -0.32 -4.83 115.22 114.52 1kqa n HIS 38 Ca 0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.25 1kqa n HIS 38 Cb 0.24 -0.02 0.24 0.00 1.12 0.00 0.00 29.99 31.57 1kqa n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1kqa n SER 39 N 0.32 -1.25 -4.89 0.41 3.41 -0.74 -5.00 113.62 105.87 1kqa n SER 39 Ca 0.15 -0.03 -0.35 0.00 -0.26 0.00 0.00 58.87 58.38 1kqa n SER 39 Cb 0.44 -1.31 -0.05 0.00 -0.26 0.00 0.00 64.21 63.02 1kqa n SER 39 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1kqa s HIS 40 N -2.46 3.57 0.61 7.33 2.46 -1.26 -4.98 115.29 120.56 1kqa s HIS 40 Ca 0.68 0.45 0.28 0.00 0.47 0.00 0.00 55.06 56.95 1kqa s HIS 40 Cb -0.25 -1.90 1.47 0.00 -0.13 0.00 0.00 32.58 31.77 1kqa s HIS 40 CO 0.64 0.66 1.86 -1.35 -2.47 0.00 0.00 174.74 174.08 1kqa h PRO 41 N 4.14 0.00 0.00 2.88 0.11 -1.99 0.15 132.00 137.29 1kqa h PRO 41 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1kqa h PRO 41 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1kqa h PRO 41 CO 0.66 0.00 -0.20 0.66 -0.21 0.00 0.00 178.00 178.91 1kqa h SER 42 N 0.00 0.00 -0.81 -2.05 4.64 -2.04 -3.38 113.55 109.92 1kqa h SER 42 Ca 0.15 -0.01 -0.73 0.00 -0.47 0.00 0.00 61.79 60.73 1kqa h SER 42 Cb 1.10 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.09 1kqa h SER 42 CO -0.00 0.00 2.59 -0.62 -0.87 0.00 0.00 176.83 177.93 1kqa n GLU 43 N -2.90 3.54 -0.15 4.77 1.02 0.51 -4.69 120.64 122.75 1kqa n GLU 43 Ca 0.03 -3.12 -0.11 0.00 -0.02 0.00 0.00 57.16 53.95 1kqa n GLU 43 Cb 0.52 -2.98 -0.01 0.00 -0.02 0.00 0.00 31.44 28.95 1kqa n GLU 43 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1kqa h VAL 44 N 3.58 1.27 -0.19 2.62 2.07 -1.80 -2.52 116.25 121.29 1kqa h VAL 44 Ca 0.54 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1kqa h VAL 44 Cb 0.55 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1kqa h VAL 44 CO 1.70 0.42 -0.22 -0.33 0.02 0.00 0.00 177.57 179.17 1kqa h GLU 45 N 0.68 0.33 -0.14 1.57 5.08 -1.97 -1.72 114.58 118.40 1kqa h GLU 45 Ca 0.11 -0.11 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1kqa h GLU 45 Cb 0.67 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1kqa h GLU 45 CO 0.05 0.54 -0.71 -0.22 -1.00 0.00 0.00 179.01 177.67 1kqa h LYS 46 N 0.30 0.63 -0.35 2.33 3.64 -1.94 -2.68 116.57 118.51 1kqa h LYS 46 Ca 0.05 -0.48 -0.06 0.00 -1.27 0.00 0.00 60.65 58.89 1kqa h LYS 46 Cb 0.56 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1kqa h LYS 46 CO 0.04 1.10 -0.03 0.00 -2.27 0.00 0.00 179.45 178.30 1kqa h ARG 47 N 0.44 0.56 -0.23 1.90 3.08 -1.07 -2.19 114.38 116.87 1kqa h ARG 47 Ca -0.03 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 59.70 1kqa h ARG 47 Cb 1.30 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1kqa h ARG 47 CO 0.14 0.61 -0.60 0.93 -1.07 0.00 0.00 179.97 179.97 1kqa h GLU 48 N 0.53 0.81 -0.75 0.04 5.08 -1.19 -2.55 114.58 116.55 1kqa h GLU 48 Ca 0.11 -0.57 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1kqa h GLU 48 Cb 0.38 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1kqa h GLU 48 CO 0.02 1.19 0.49 0.77 -1.00 0.00 0.00 179.01 180.48 1kqa h SER 49 N 0.56 0.87 -0.67 1.42 0.02 -1.26 -2.74 113.55 111.75 1kqa h SER 49 Ca -0.01 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1kqa h SER 49 Cb 1.22 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 1kqa h SER 49 CO 0.13 0.64 0.31 -0.07 -1.14 0.00 0.00 176.83 176.70 1kqa h LEU 50 N 1.02 0.91 0.04 5.07 3.38 -1.36 -0.31 115.31 124.06 1kqa h LEU 50 Ca 0.27 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1kqa h LEU 50 Cb -0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.41 1kqa h LEU 50 CO -0.06 0.79 -0.03 0.40 0.09 0.00 0.00 178.44 179.64 1kqa h ILE 51 N 0.99 0.94 0.00 1.22 2.04 -1.16 1.47 117.51 123.01 1kqa h ILE 51 Ca 0.24 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 1kqa h ILE 51 Cb 0.14 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1kqa h ILE 51 CO -0.03 0.00 -0.07 0.11 0.00 0.00 0.00 178.15 178.16 1kqa h LYS 52 N -0.07 0.00 0.04 2.37 6.56 -1.25 -2.83 116.57 121.39 1kqa h LYS 52 Ca -0.00 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.28 1kqa h LYS 52 Cb 0.06 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.68 1kqa h LYS 52 CO 0.00 0.07 -1.77 0.93 -2.06 0.00 0.00 179.45 176.62 1kqa h GLU 53 N 0.00 0.08 -0.22 3.15 5.08 0.47 -3.39 114.58 119.75 1kqa h GLU 53 Ca -0.00 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1kqa h GLU 53 Cb 0.16 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1kqa h GLU 53 CO 0.01 0.71 -0.08 0.52 -1.00 0.00 0.00 179.01 179.17 1kqa h MET 54 N 0.02 0.44 -6.33 2.33 2.86 0.22 -3.46 114.93 111.02 1kqa h MET 54 Ca -0.32 -0.18 -0.46 0.00 -2.06 0.00 0.00 59.70 56.68 1kqa h MET 54 Cb 2.02 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.66 1kqa h MET 54 CO 0.09 0.70 -0.33 -0.06 1.06 0.00 0.00 176.91 178.37 1kqa s PHE 55 N -4.67 3.45 0.05 -0.22 0.08 -1.11 -3.07 117.98 112.48 1kqa s PHE 55 Ca -0.14 0.12 -0.28 0.00 0.12 0.00 0.00 56.93 56.75 1kqa s PHE 55 Cb 0.07 -1.73 -0.17 0.00 -0.57 0.00 0.00 43.02 40.62 1kqa s PHE 55 CO 0.76 0.28 1.48 0.00 -0.10 0.00 0.00 175.22 177.64 1kqa h ALA 56 N 0.98 -0.53 -3.74 5.36 0.00 -1.19 -3.45 119.26 116.70 1kqa h ALA 56 Ca -0.51 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 53.96 1kqa h ALA 56 Cb 1.23 0.20 -0.30 0.00 0.00 0.00 0.00 17.79 18.93 1kqa h ALA 56 CO 0.61 -0.73 -0.74 0.99 0.00 0.00 0.00 179.25 179.38 1kqa s THR 57 N -5.50 0.17 -0.10 0.00 2.01 -1.07 -5.01 115.64 106.14 1kqa s THR 57 Ca -0.15 -0.05 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 1kqa s THR 57 Cb 0.03 -0.18 0.05 0.00 0.01 0.00 0.00 72.50 72.42 1kqa s THR 57 CO 0.60 0.07 0.16 -0.69 -0.69 0.00 0.00 174.62 174.07 1kqa s VAL 58 N 0.20 -0.26 1.21 3.82 1.01 -1.24 0.11 120.40 125.24 1kqa s VAL 58 Ca -0.02 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 1kqa s VAL 58 Cb -0.04 -0.33 0.30 0.00 0.00 0.00 0.00 36.38 36.31 1kqa s VAL 58 CO -0.01 0.11 1.07 0.61 0.00 0.00 0.00 175.10 176.89 1kqa n GLY 59 N 5.32 -2.76 3.81 4.51 0.00 1.07 -4.99 105.19 112.16 1kqa n GLY 59 Ca -0.05 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 1kqa n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kqa s GLU 60 N -5.44 3.26 -0.03 1.61 0.41 -1.26 -3.93 118.70 113.33 1kqa s GLU 60 Ca 0.70 1.13 0.00 0.00 -0.41 0.00 0.00 54.97 56.39 1kqa s GLU 60 Cb -0.07 -2.03 0.00 0.00 -1.78 0.00 0.00 34.13 30.25 1kqa s GLU 60 CO 0.53 -0.85 0.00 -1.71 -0.49 0.00 0.00 175.26 172.74 1kqa n ASN 61 N -2.26 -3.34 -4.77 -0.19 5.15 -1.26 -1.09 115.26 107.49 1kqa n ASN 61 Ca 0.08 0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.66 1kqa n ASN 61 Cb 0.53 -0.87 -0.01 0.00 -0.53 0.00 0.00 39.78 38.90 1kqa n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kqa s ALA 62 N -1.91 3.57 -0.07 5.20 0.00 -1.25 -4.11 121.76 123.19 1kqa s ALA 62 Ca 0.00 1.41 -0.03 0.00 0.00 0.00 0.00 51.96 53.34 1kqa s ALA 62 Cb 0.00 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1kqa s ALA 62 CO 0.00 -0.83 0.14 -0.46 0.00 0.00 0.00 175.76 174.61 1kqa s TRP 63 N -0.81 -0.14 -0.14 0.00 -0.11 -0.80 -4.95 118.94 111.98 1kqa s TRP 63 Ca 0.53 0.52 -0.01 0.00 1.22 0.00 0.00 56.10 58.37 1kqa s TRP 63 Cb -0.43 -0.23 0.03 0.00 -1.50 0.00 0.00 33.47 31.34 1kqa s TRP 63 CO 0.54 -0.23 -0.06 0.08 -4.62 0.00 0.00 176.95 172.66 1kqa s VAL 64 N 1.91 1.05 -0.14 5.86 1.01 -1.26 -1.34 120.40 127.48 1kqa s VAL 64 Ca -0.01 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1kqa s VAL 64 Cb -0.12 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1kqa s VAL 64 CO -0.05 0.23 1.10 -1.61 0.00 0.00 0.00 175.10 174.77 1kqa s GLU 65 N 1.68 4.33 0.63 2.72 0.41 -0.10 -4.99 118.70 123.37 1kqa s GLU 65 Ca 0.03 1.49 -0.17 0.00 -0.41 0.00 0.00 54.97 55.91 1kqa s GLU 65 Cb -0.14 -3.61 -0.01 0.00 -1.78 0.00 0.00 34.13 28.58 1kqa s GLU 65 CO -0.08 -0.51 1.14 -2.14 -0.49 0.00 0.00 175.26 173.19 1kqa s PRO 66 N 2.67 2.86 0.37 0.39 0.02 -1.26 -3.98 135.00 136.06 1kqa s PRO 66 Ca 0.50 1.57 -0.12 0.00 0.02 0.00 0.00 61.00 62.96 1kqa s PRO 66 Cb -0.19 -1.94 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 1kqa s PRO 66 CO 0.15 -1.24 0.76 -1.25 -0.33 0.00 0.00 177.00 175.09 1kqa s PRO 67 N -3.75 3.87 0.00 5.54 0.04 -1.26 -4.71 135.00 134.74 1kqa s PRO 67 Ca 0.71 0.56 0.05 0.00 0.04 0.00 0.00 61.00 62.36 1kqa s PRO 67 Cb -0.24 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 1kqa s PRO 67 CO 0.37 0.04 -0.16 0.54 0.04 0.00 0.00 177.00 177.83 1kqa s VAL 68 N -2.21 1.31 -0.01 -0.36 0.11 -1.26 -1.14 120.40 116.83 1kqa s VAL 68 Ca 0.53 -0.81 0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1kqa s VAL 68 Cb -0.10 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.62 1kqa s VAL 68 CO 0.26 0.28 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.79 1kqa s TYR 69 N -0.52 1.87 0.24 1.54 2.02 0.29 -4.90 117.35 117.88 1kqa s TYR 69 Ca 0.06 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.21 1kqa s TYR 69 Cb -0.07 -1.19 0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1kqa s TYR 69 CO 0.00 -0.02 0.62 -0.59 -1.57 0.00 0.00 175.55 174.00 1kqa s PHE 70 N -0.53 -0.14 -0.19 2.71 -0.12 -1.26 0.11 117.98 118.56 1kqa s PHE 70 Ca 0.08 -0.24 -0.21 0.00 -0.05 0.00 0.00 56.93 56.51 1kqa s PHE 70 Cb -0.08 0.54 -0.21 0.00 -0.63 0.00 0.00 43.02 42.64 1kqa s PHE 70 CO -0.00 -1.07 0.31 0.77 -0.05 0.00 0.00 175.22 175.17 1kqa h SER 71 N 2.08 0.05 0.00 1.98 0.02 -1.87 -3.45 113.55 112.37 1kqa h SER 71 Ca -0.24 -0.62 -0.04 0.00 -0.84 0.00 0.00 61.79 60.05 1kqa h SER 71 Cb 1.26 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1kqa h SER 71 CO 0.30 1.47 -1.13 -1.22 -1.14 0.00 0.00 176.83 175.11 1kqa n TYR 72 N -4.36 0.00 0.00 3.45 4.02 -1.26 -4.57 117.16 114.44 1kqa n TYR 72 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.60 1kqa n TYR 72 Cb 0.70 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 1kqa n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1kqa n GLY 73 N 3.24 2.00 0.00 2.72 0.00 -1.26 -4.20 105.19 107.69 1kqa n GLY 73 Ca -0.04 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1kqa n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kqa n SER 74 N 2.05 0.00 -1.02 1.61 3.41 -1.18 -2.13 113.62 116.36 1kqa n SER 74 Ca 0.00 0.17 0.08 0.00 -0.26 0.00 0.00 58.87 58.86 1kqa n SER 74 Cb 0.00 -0.33 0.24 0.00 -0.26 0.00 0.00 64.21 63.86 1kqa n SER 74 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1kqa n ASN 75 N -1.33 2.97 -4.47 4.04 3.02 -1.26 -3.89 115.26 114.35 1kqa n ASN 75 Ca 0.06 -2.04 -0.33 0.00 -0.03 0.00 0.00 54.58 52.23 1kqa n ASN 75 Cb 0.12 -0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 38.79 1kqa n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kqa s ILE 76 N -1.34 3.70 -0.12 2.41 1.01 -0.91 -1.61 121.20 124.33 1kqa s ILE 76 Ca 0.36 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.61 1kqa s ILE 76 Cb 0.19 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1kqa s ILE 76 CO 0.24 0.50 -0.21 -1.00 0.00 0.00 0.00 174.94 174.47 1kqa s HIS 77 N 0.35 2.49 -0.03 3.97 3.76 -0.49 -1.19 115.29 124.15 1kqa s HIS 77 Ca -0.06 -1.17 0.06 0.00 -0.15 0.00 0.00 55.06 53.74 1kqa s HIS 77 Cb -0.15 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 1kqa s HIS 77 CO 0.04 -0.52 -0.20 0.42 -0.85 0.00 0.00 174.74 173.62 1kqa s ILE 78 N 0.70 1.59 0.00 0.60 1.01 0.30 -1.31 121.20 124.09 1kqa s ILE 78 Ca -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1kqa s ILE 78 Cb -0.16 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.97 1kqa s ILE 78 CO 0.02 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1kqa n GLY 79 N 2.78 0.68 3.13 6.18 0.00 -0.25 -0.77 105.19 116.94 1kqa n GLY 79 Ca -0.16 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1kqa n GLY 79 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kqa s ARG 80 N 0.00 1.14 -1.30 1.61 3.52 -1.25 0.35 118.95 123.02 1kqa s ARG 80 Ca 0.00 -0.60 -0.06 0.00 -0.13 0.00 0.00 55.73 54.94 1kqa s ARG 80 Cb 0.00 -1.13 0.01 0.00 -1.56 0.00 0.00 34.95 32.27 1kqa s ARG 80 CO 0.00 0.30 0.73 0.09 -0.81 0.00 0.00 175.30 175.62 1kqa n ASN 81 N 2.49 -5.69 -4.79 -2.12 3.02 -0.25 0.70 115.26 108.62 1kqa n ASN 81 Ca -0.15 -0.34 -0.36 0.00 -0.03 0.00 0.00 54.58 53.70 1kqa n ASN 81 Cb 0.55 -4.44 -0.04 0.00 -0.61 0.00 0.00 39.78 35.24 1kqa n ASN 81 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1kqa s PHE 82 N -3.17 3.15 -0.16 3.10 5.36 -1.26 -4.00 117.98 120.99 1kqa s PHE 82 Ca 0.36 1.61 -0.05 0.00 -0.96 0.00 0.00 56.93 57.90 1kqa s PHE 82 Cb -0.16 -3.13 0.08 0.00 -0.34 0.00 0.00 43.02 39.46 1kqa s PHE 82 CO 0.45 -0.78 0.30 -0.47 -1.46 0.00 0.00 175.22 173.26 1kqa s TYR 83 N -1.74 -0.52 -0.07 10.12 6.14 -0.88 -1.90 117.35 128.49 1kqa s TYR 83 Ca 0.61 0.99 0.03 0.00 0.64 0.00 0.00 57.07 59.34 1kqa s TYR 83 Cb -0.21 0.00 0.01 0.00 0.42 0.00 0.00 41.96 42.18 1kqa s TYR 83 CO 0.26 -0.44 -0.15 0.00 0.64 0.00 0.00 175.55 175.85 1kqa s ALA 84 N 2.46 1.48 0.75 3.97 0.00 -0.45 0.51 121.76 130.48 1kqa s ALA 84 Ca 0.02 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1kqa s ALA 84 Cb -0.13 -0.60 0.13 0.00 0.00 0.00 0.00 23.12 22.52 1kqa s ALA 84 CO -0.10 0.18 1.04 1.21 0.00 0.00 0.00 175.76 178.08 1kqa s ASN 85 N 0.49 4.22 0.49 0.00 3.84 -0.46 -0.92 114.94 122.60 1kqa s ASN 85 Ca -0.14 -0.15 -0.16 0.00 0.21 0.00 0.00 52.86 52.63 1kqa s ASN 85 Cb -0.15 -0.22 -0.13 0.00 -0.55 0.00 0.00 41.25 40.19 1kqa s ASN 85 CO 0.05 -1.95 -0.18 0.49 -2.79 0.00 0.00 177.10 172.71 1kqa n PHE 86 N -2.98 -2.79 -3.94 0.43 3.72 -1.26 -3.84 117.46 106.81 1kqa n PHE 86 Ca 0.14 0.35 -0.28 0.00 -0.05 0.00 0.00 57.45 57.61 1kqa n PHE 86 Cb 0.60 -1.45 0.00 0.00 -0.94 0.00 0.00 39.48 37.69 1kqa n PHE 86 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1kqa n ASN 87 N 2.30 -2.22 -4.70 4.37 3.02 -0.29 -0.36 115.26 117.38 1kqa n ASN 87 Ca 0.06 -0.91 -0.42 0.00 -0.03 0.00 0.00 54.58 53.28 1kqa n ASN 87 Cb 0.42 -3.45 -0.03 0.00 -0.61 0.00 0.00 39.78 36.12 1kqa n ASN 87 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1kqa s LEU 88 N -7.04 4.34 -0.11 3.41 2.96 -1.23 -3.45 118.68 117.55 1kqa s LEU 88 Ca 0.31 1.74 0.03 0.00 -0.22 0.00 0.00 54.13 55.99 1kqa s LEU 88 Cb -0.16 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1kqa s LEU 88 CO 0.86 -0.38 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.39 1kqa s THR 89 N 1.35 2.11 -0.21 3.68 2.01 -0.06 -0.55 115.64 123.97 1kqa s THR 89 Ca 0.53 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 1kqa s THR 89 Cb -0.23 -1.81 0.06 0.00 0.01 0.00 0.00 72.50 70.53 1kqa s THR 89 CO 0.26 0.56 0.00 -0.63 -0.69 0.00 0.00 174.62 174.12 1kqa s ILE 90 N 0.45 0.87 -1.07 1.82 1.01 0.12 0.11 121.20 124.51 1kqa s ILE 90 Ca -0.16 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.55 1kqa s ILE 90 Cb -0.17 -1.29 0.14 0.00 0.01 0.00 0.00 42.46 41.15 1kqa s ILE 90 CO 0.06 -0.16 1.31 -0.69 0.00 0.00 0.00 174.94 175.46 1kqa s VAL 91 N 1.70 4.74 -1.08 2.92 1.01 0.16 -2.99 120.40 126.87 1kqa s VAL 91 Ca -0.02 -1.94 -0.04 0.00 0.00 0.00 0.00 61.98 59.97 1kqa s VAL 91 Cb -0.18 -4.88 0.13 0.00 0.00 0.00 0.00 36.38 31.46 1kqa s VAL 91 CO -0.07 -1.62 2.41 -0.90 0.00 0.00 0.00 175.10 174.91 1kqa n ASP 92 N 6.51 7.61 0.29 3.32 5.75 -1.26 -2.60 116.55 136.18 1kqa n ASP 92 Ca 0.31 -3.24 0.17 0.00 -0.01 0.00 0.00 54.79 52.02 1kqa n ASP 92 Cb 0.47 -1.30 0.88 0.00 -1.03 0.00 0.00 41.12 40.13 1kqa n ASP 92 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1kqa h ASP 93 N 4.14 0.00 -3.96 -1.12 3.32 -1.94 -3.41 116.42 113.46 1kqa h ASP 93 Ca 0.61 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.33 1kqa h ASP 93 Cb 0.39 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.85 1kqa h ASP 93 CO 1.31 0.05 -0.32 0.00 -1.72 0.00 0.00 179.24 178.56 1kqa n TYR 94 N -3.38 -0.51 -1.66 4.55 9.36 -1.26 -5.07 117.16 119.19 1kqa n TYR 94 Ca -0.02 -1.91 -0.41 0.00 3.32 0.00 0.00 57.90 58.89 1kqa n TYR 94 Cb 0.19 0.19 0.01 0.00 -0.63 0.00 0.00 39.34 39.10 1kqa n TYR 94 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1kqa n THR 95 N -0.44 2.58 -3.64 2.97 -1.04 -1.26 -4.84 114.28 108.62 1kqa n THR 95 Ca 0.05 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.36 1kqa n THR 95 Cb 0.41 -1.37 -0.16 0.00 -1.82 0.00 0.00 70.33 67.39 1kqa n THR 95 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1kqa s VAL 96 N -1.24 -0.18 -0.15 12.58 1.01 -0.63 -2.70 120.40 129.09 1kqa s VAL 96 Ca 0.63 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.81 1kqa s VAL 96 Cb -0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1kqa s VAL 96 CO 0.57 0.02 -0.13 -0.89 0.00 0.00 0.00 175.10 174.66 1kqa s THR 97 N 2.22 2.87 -0.12 3.92 2.01 -0.01 -1.39 115.64 125.15 1kqa s THR 97 Ca 0.04 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.36 1kqa s THR 97 Cb -0.13 -2.22 -0.00 0.00 0.01 0.00 0.00 72.50 70.16 1kqa s THR 97 CO -0.06 0.51 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.54 1kqa s ILE 98 N 0.70 2.29 0.00 1.82 1.01 -0.43 -0.76 121.20 125.84 1kqa s ILE 98 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1kqa s ILE 98 Cb -0.15 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.41 1kqa s ILE 98 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1kqa n GLY 99 N 3.69 -1.04 3.90 6.18 0.00 0.17 -1.09 105.19 117.01 1kqa n GLY 99 Ca -0.19 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 1kqa n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kqa s ASP 100 N -1.31 6.48 -1.60 1.61 1.01 -1.26 -2.86 116.67 118.74 1kqa s ASP 100 Ca 0.00 0.71 -0.14 0.00 0.71 0.00 0.00 52.55 53.83 1kqa s ASP 100 Cb 0.00 -2.14 0.11 0.00 1.01 0.00 0.00 42.92 41.90 1kqa s ASP 100 CO 0.00 -0.13 0.84 0.59 0.21 0.00 0.00 175.17 176.68 1kqa n ASN 101 N -0.62 -3.60 -4.74 0.27 3.02 0.22 0.75 115.26 110.57 1kqa n ASN 101 Ca -0.02 -0.91 -0.38 0.00 -0.03 0.00 0.00 54.58 53.24 1kqa n ASN 101 Cb 0.53 -3.28 -0.06 0.00 -0.61 0.00 0.00 39.78 36.36 1kqa n ASN 101 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kqa s VAL 102 N -3.36 5.10 -0.19 2.41 1.01 -1.26 -3.32 120.40 120.79 1kqa s VAL 102 Ca 0.62 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 63.65 1kqa s VAL 102 Cb -0.33 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1kqa s VAL 102 CO 0.88 0.36 -0.10 -0.76 0.00 0.00 0.00 175.10 175.48 1kqa s LEU 103 N 0.33 2.67 -0.13 3.92 1.43 -0.58 -2.07 118.68 124.24 1kqa s LEU 103 Ca 0.28 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1kqa s LEU 103 Cb -0.16 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 1kqa s LEU 103 CO 0.13 0.04 -0.19 -0.63 0.23 0.00 0.00 176.35 175.93 1kqa s ILE 104 N 1.12 2.46 1.00 -0.59 1.01 0.18 -1.94 121.20 124.45 1kqa s ILE 104 Ca 0.01 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 1kqa s ILE 104 Cb -0.14 -2.00 0.19 0.00 0.01 0.00 0.00 42.46 40.51 1kqa s ILE 104 CO -0.03 0.54 1.14 0.00 0.00 0.00 0.00 174.94 176.59 1kqa s ALA 105 N 0.57 1.37 0.47 9.38 0.00 -0.76 -1.35 121.76 131.44 1kqa s ALA 105 Ca -0.11 -0.67 -0.22 0.00 0.00 0.00 0.00 51.96 50.97 1kqa s ALA 105 Cb -0.16 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 1kqa s ALA 105 CO 0.04 -2.73 1.10 -1.25 0.00 0.00 0.00 175.76 172.92 1kqa s PRO 106 N -5.31 3.77 -0.75 0.00 0.04 -1.26 -4.21 135.00 127.27 1kqa s PRO 106 Ca 0.67 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 1kqa s PRO 106 Cb -0.13 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1kqa s PRO 106 CO 0.55 -0.50 0.65 0.09 0.04 0.00 0.00 177.00 177.83 1kqa n ASN 107 N -0.68 -3.70 -4.88 6.66 3.02 0.51 -3.13 115.26 113.06 1kqa n ASN 107 Ca 0.08 -0.33 -0.35 0.00 -0.03 0.00 0.00 54.58 53.96 1kqa n ASN 107 Cb 0.50 -3.14 -0.05 0.00 -0.61 0.00 0.00 39.78 36.48 1kqa n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kqa s VAL 108 N -3.19 5.27 -0.13 2.41 1.01 -1.22 -3.10 120.40 121.44 1kqa s VAL 108 Ca 0.23 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1kqa s VAL 108 Cb -0.10 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1kqa s VAL 108 CO 0.42 0.36 -0.19 -0.89 0.00 0.00 0.00 175.10 174.80 1kqa s THR 109 N -1.31 1.81 -0.20 3.92 2.01 -0.59 -0.88 115.64 120.40 1kqa s THR 109 Ca 0.28 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 1kqa s THR 109 Cb -0.13 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.75 1kqa s THR 109 CO 0.16 0.50 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.73 1kqa s LEU 110 N 1.00 2.59 -0.16 4.42 1.43 0.12 -1.20 118.68 126.88 1kqa s LEU 110 Ca -0.04 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1kqa s LEU 110 Cb -0.15 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.48 1kqa s LEU 110 CO -0.04 -0.01 -0.02 -0.55 0.23 0.00 0.00 176.35 175.95 1kqa s SER 111 N 1.40 2.66 0.00 2.29 0.15 -0.68 0.40 113.70 119.93 1kqa s SER 111 Ca 0.05 -0.61 0.28 0.00 0.70 0.00 0.00 55.95 56.37 1kqa s SER 111 Cb -0.14 -0.77 1.13 0.00 -1.71 0.00 0.00 66.02 64.54 1kqa s SER 111 CO -0.07 -0.21 1.85 1.33 1.20 0.00 0.00 173.24 177.34 1kqa n VAL 112 N 4.95 0.00 -4.01 4.45 0.24 -1.07 -1.38 118.33 121.52 1kqa n VAL 112 Ca -0.10 -0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.88 1kqa n VAL 112 Cb 0.48 -0.38 -0.06 0.00 -1.47 0.00 0.00 33.84 32.41 1kqa n VAL 112 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1kqa s THR 113 N -2.98 4.91 0.23 3.34 2.01 -1.26 -0.67 115.64 121.22 1kqa s THR 113 Ca 0.14 -0.51 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 1kqa s THR 113 Cb 0.19 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.37 1kqa s THR 113 CO 0.55 0.21 0.50 -0.83 -0.69 0.00 0.00 174.62 174.36 1kqa s GLY 114 N -2.21 0.31 0.04 4.40 0.00 -0.82 -4.69 107.32 104.35 1kqa s GLY 114 Ca 0.29 -0.66 0.08 0.00 0.00 0.00 0.00 44.72 44.43 1kqa s GLY 114 CO 0.21 -0.50 -0.24 0.30 0.00 0.00 0.00 173.10 172.88 1kqa s HIS 115 N -3.97 2.07 -0.09 1.90 3.76 -1.26 -1.91 115.29 115.79 1kqa s HIS 115 Ca 0.17 -0.39 -0.35 0.00 -0.15 0.00 0.00 55.06 54.34 1kqa s HIS 115 Cb -0.01 -1.25 -0.13 0.00 1.11 0.00 0.00 32.58 32.30 1kqa s HIS 115 CO 0.05 0.09 1.79 -2.30 -0.85 0.00 0.00 174.74 173.53 1kqa n PRO 116 N 1.90 1.93 -0.35 8.40 -0.02 -1.26 -4.82 135.00 140.77 1kqa n PRO 116 Ca -0.17 0.71 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 1kqa n PRO 116 Cb 0.53 -2.50 0.22 0.00 -0.02 0.00 0.00 33.50 31.72 1kqa n PRO 116 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1kqa h VAL 117 N 5.09 1.01 -2.91 -1.45 2.07 -1.97 -3.40 116.25 114.69 1kqa h VAL 117 Ca -0.48 -0.37 -0.56 0.00 0.82 0.00 0.00 66.70 66.11 1kqa h VAL 117 Cb 1.28 -0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1kqa h VAL 117 CO 0.94 0.19 0.98 -2.28 0.02 0.00 0.00 177.57 177.42 1kqa s HIS 118 N -5.97 2.56 0.39 1.57 5.65 -1.26 -4.90 115.29 113.33 1kqa s HIS 118 Ca -0.12 0.78 0.15 0.00 0.25 0.00 0.00 55.06 56.12 1kqa s HIS 118 Cb 0.21 -3.75 1.00 0.00 -1.18 0.00 0.00 32.58 28.87 1kqa s HIS 118 CO 0.81 -2.20 1.83 1.12 -0.65 0.00 0.00 174.74 175.65 1kqa h HIS 119 N 9.10 0.67 0.00 3.88 2.07 -1.98 0.34 115.15 129.22 1kqa h HIS 119 Ca -0.29 0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.25 1kqa h HIS 119 Cb 1.12 -0.20 -0.00 0.00 2.57 0.00 0.00 27.41 30.90 1kqa h HIS 119 CO 0.85 0.17 -0.01 0.93 -3.07 0.00 0.00 177.93 176.80 1kqa h GLU 120 N 0.49 0.00 -0.08 5.12 5.08 -1.93 -0.32 114.58 122.94 1kqa h GLU 120 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1kqa h GLU 120 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1kqa h GLU 120 CO -0.23 0.01 0.00 1.28 -1.00 0.00 0.00 179.01 179.07 1kqa n LEU 121 N -4.12 0.98 -0.20 1.33 4.77 0.12 -3.99 117.00 115.90 1kqa n LEU 121 Ca -0.03 -0.39 0.01 0.00 -0.03 0.00 0.00 56.01 55.57 1kqa n LEU 121 Cb 0.10 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1kqa n LEU 121 CO 0.30 0.20 0.30 -2.11 -1.33 0.00 0.00 177.39 174.75 1kqa n ARG 122 N -0.16 0.40 -0.27 3.23 1.85 -0.16 -4.58 116.66 116.97 1kqa n ARG 122 Ca 0.16 -0.97 0.27 0.00 -1.00 0.00 0.00 57.85 56.31 1kqa n ARG 122 Cb 0.23 -0.63 0.49 0.00 -1.05 0.00 0.00 32.46 31.49 1kqa n ARG 122 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1kqa n LYS 123 N -0.17 -0.05 -1.52 2.89 5.02 -1.02 0.20 118.16 123.52 1kqa n LYS 123 Ca 0.01 1.12 -0.31 0.00 -2.02 0.00 0.00 58.31 57.11 1kqa n LYS 123 Cb 0.57 -2.02 0.07 0.00 -0.02 0.00 0.00 35.03 33.62 1kqa n LYS 123 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1kqa n ASN 124 N -4.81 6.66 -3.91 4.39 3.02 -1.26 -4.92 115.26 114.43 1kqa n ASN 124 Ca 0.31 -3.77 -0.34 0.00 -0.03 0.00 0.00 54.58 50.75 1kqa n ASN 124 Cb 1.07 -0.78 0.01 0.00 -0.61 0.00 0.00 39.78 39.47 1kqa n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kqa n GLY 125 N -0.87 -1.12 3.83 7.41 0.00 0.55 -4.89 105.19 110.10 1kqa n GLY 125 Ca 0.57 0.49 -0.37 0.00 0.00 0.00 0.00 46.02 46.71 1kqa n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kqa s GLU 126 N -5.98 4.03 0.27 1.61 2.02 -1.23 -4.80 118.70 114.62 1kqa s GLU 126 Ca 0.21 0.55 0.02 0.00 0.02 0.00 0.00 54.97 55.76 1kqa s GLU 126 Cb -0.11 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 1kqa s GLU 126 CO 0.93 0.59 0.14 0.00 0.02 0.00 0.00 175.26 176.94 1kqa s MET 127 N -1.45 1.45 0.15 1.61 0.23 0.51 -4.15 119.30 117.64 1kqa s MET 127 Ca 0.31 -1.80 0.05 0.00 -1.03 0.00 0.00 55.69 53.22 1kqa s MET 127 Cb -0.17 -0.01 -0.04 0.00 -1.53 0.00 0.00 34.83 33.08 1kqa s MET 127 CO 0.18 -0.41 -0.11 1.52 -2.03 0.00 0.00 175.02 174.17 1kqa s TYR 128 N -3.79 1.33 -0.03 3.16 -0.85 -0.80 -0.42 117.35 115.96 1kqa s TYR 128 Ca 0.37 -0.70 -0.01 0.00 -0.52 0.00 0.00 57.07 56.22 1kqa s TYR 128 Cb 0.06 -0.67 0.03 0.00 0.38 0.00 0.00 41.96 41.76 1kqa s TYR 128 CO 0.16 0.13 0.06 -1.12 -1.52 0.00 0.00 175.55 173.25 1kqa s SER 129 N -3.04 0.17 -0.09 -0.18 0.01 -1.26 -1.95 113.70 107.36 1kqa s SER 129 Ca 0.16 0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.53 1kqa s SER 129 Cb 0.01 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.23 1kqa s SER 129 CO 0.02 -0.15 -0.12 -0.36 0.41 0.00 0.00 173.24 173.04 1kqa s PHE 130 N 1.25 1.64 0.74 2.43 0.08 0.16 -4.57 117.98 119.70 1kqa s PHE 130 Ca -0.07 -0.73 -0.17 0.00 0.12 0.00 0.00 56.93 56.08 1kqa s PHE 130 Cb -0.13 -1.23 -0.11 0.00 -0.57 0.00 0.00 43.02 40.98 1kqa s PHE 130 CO -0.04 -0.41 -0.13 -2.30 -0.10 0.00 0.00 175.22 172.24 1kqa n PRO 131 N 4.27 0.07 -4.87 0.24 -0.02 -1.26 -1.05 135.00 132.39 1kqa n PRO 131 Ca -0.19 0.04 -0.27 0.00 -2.02 0.00 0.00 63.50 61.06 1kqa n PRO 131 Cb 0.51 -1.27 -0.16 0.00 -0.02 0.00 0.00 33.50 32.55 1kqa n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1kqa s ILE 132 N -1.99 1.52 -0.15 4.25 1.01 -1.10 -2.42 121.20 122.32 1kqa s ILE 132 Ca 0.54 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1kqa s ILE 132 Cb -0.34 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 40.81 1kqa s ILE 132 CO 0.69 0.44 -0.17 -0.89 0.00 0.00 0.00 174.94 175.01 1kqa s THR 133 N 0.33 1.74 -0.25 2.92 2.01 -0.55 -0.83 115.64 121.01 1kqa s THR 133 Ca -0.12 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 1kqa s THR 133 Cb -0.15 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.77 1kqa s THR 133 CO 0.05 0.49 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.81 1kqa s ILE 134 N 1.33 3.28 0.03 1.82 -1.09 0.06 0.47 121.20 127.11 1kqa s ILE 134 Ca 0.03 -0.76 -0.01 0.00 -2.23 0.00 0.00 60.65 57.68 1kqa s ILE 134 Cb -0.13 -2.61 0.01 0.00 -1.58 0.00 0.00 42.46 38.15 1kqa s ILE 134 CO -0.10 0.26 0.02 0.61 -1.23 0.00 0.00 174.94 174.50 1kqa n GLY 135 N 4.76 -3.48 3.85 6.18 0.00 0.26 -0.65 105.19 116.11 1kqa n GLY 135 Ca -0.17 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 1kqa n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kqa s ASN 136 N -1.93 6.70 -1.54 1.61 0.01 -1.26 -3.55 114.94 114.98 1kqa s ASN 136 Ca 0.02 1.30 -0.05 0.00 -0.71 0.00 0.00 52.86 53.42 1kqa s ASN 136 Cb -0.00 -2.38 0.01 0.00 0.41 0.00 0.00 41.25 39.29 1kqa s ASN 136 CO 0.01 -0.32 0.51 0.59 -1.51 0.00 0.00 177.10 176.39 1kqa n ASN 137 N -0.79 -5.73 -4.88 -1.22 3.02 0.23 -0.26 115.26 105.62 1kqa n ASN 137 Ca 0.04 -0.25 -0.32 0.00 -0.03 0.00 0.00 54.58 54.01 1kqa n ASN 137 Cb 0.54 -4.66 -0.05 0.00 -0.61 0.00 0.00 39.78 34.99 1kqa n ASN 137 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kqa s VAL 138 N -3.12 5.01 -0.12 2.41 1.01 -1.26 -3.73 120.40 120.60 1kqa s VAL 138 Ca 0.27 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.60 1kqa s VAL 138 Cb -0.13 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1kqa s VAL 138 CO 0.34 -0.01 -0.06 0.86 0.00 0.00 0.00 175.10 176.23 1kqa s TRP 139 N -1.74 1.42 -0.21 5.22 -0.00 -0.86 -1.53 118.94 121.24 1kqa s TRP 139 Ca 0.44 -0.75 -0.07 0.00 -0.00 0.00 0.00 56.10 55.73 1kqa s TRP 139 Cb -0.12 -1.20 -0.03 0.00 -0.00 0.00 0.00 33.47 32.13 1kqa s TRP 139 CO 0.22 -0.52 0.04 0.42 -0.00 0.00 0.00 176.95 177.11 1kqa s ILE 140 N 1.73 4.33 1.11 5.86 1.01 -0.82 -1.35 121.20 133.06 1kqa s ILE 140 Ca 0.04 -0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 1kqa s ILE 140 Cb -0.13 -2.98 0.25 0.00 0.01 0.00 0.00 42.46 39.61 1kqa s ILE 140 CO -0.08 0.40 1.18 -0.83 0.00 0.00 0.00 174.94 175.61 1kqa s GLY 141 N 1.04 1.64 0.55 6.18 0.00 0.73 -1.83 107.32 115.63 1kqa s GLY 141 Ca 0.03 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 43.57 1kqa s GLY 141 CO 0.03 -0.16 1.19 -0.56 0.00 0.00 0.00 173.10 173.59 1kqa s SER 142 N -4.20 5.53 -1.44 1.64 0.01 -1.26 -3.60 113.70 110.39 1kqa s SER 142 Ca 0.71 2.33 -0.05 0.00 1.31 0.00 0.00 55.95 60.25 1kqa s SER 142 Cb -0.08 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.57 1kqa s SER 142 CO 0.55 -1.36 0.43 1.41 0.41 0.00 0.00 173.24 174.68 1kqa n HIS 143 N -1.27 -1.75 -3.32 2.43 8.25 -1.18 0.51 115.22 118.89 1kqa n HIS 143 Ca 0.12 0.39 -0.34 0.00 -0.26 0.00 0.00 57.72 57.62 1kqa n HIS 143 Cb 0.49 -3.76 -0.06 0.00 1.12 0.00 0.00 29.99 27.78 1kqa n HIS 143 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1kqa s VAL 144 N -3.02 4.83 -0.11 1.59 1.01 -1.24 -3.48 120.40 119.99 1kqa s VAL 144 Ca 0.26 0.79 0.02 0.00 0.00 0.00 0.00 61.98 63.05 1kqa s VAL 144 Cb -0.13 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1kqa s VAL 144 CO 0.32 0.11 -0.15 -0.69 0.00 0.00 0.00 175.10 174.69 1kqa s VAL 145 N -1.63 1.52 -0.27 2.92 1.01 -0.58 -1.54 120.40 121.83 1kqa s VAL 145 Ca 0.43 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1kqa s VAL 145 Cb -0.14 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.88 1kqa s VAL 145 CO 0.20 0.44 -0.00 -0.63 0.00 0.00 0.00 175.10 175.11 1kqa s ILE 146 N 1.00 3.27 0.87 2.22 1.01 -0.34 -0.22 121.20 129.01 1kqa s ILE 146 Ca -0.06 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 1kqa s ILE 146 Cb -0.15 -2.70 0.12 0.00 0.01 0.00 0.00 42.46 39.75 1kqa s ILE 146 CO -0.02 0.11 1.21 0.20 0.00 0.00 0.00 174.94 176.44 1kqa s ASN 147 N 1.37 3.92 0.43 3.58 0.02 -0.62 -1.68 114.94 121.96 1kqa s ASN 147 Ca 0.00 0.67 -0.24 0.00 -1.02 0.00 0.00 52.86 52.27 1kqa s ASN 147 Cb -0.17 -1.04 -0.10 0.00 0.02 0.00 0.00 41.25 39.95 1kqa s ASN 147 CO -0.02 -2.27 1.07 -2.65 0.02 0.00 0.00 177.10 173.26 1kqa n PRO 148 N -3.53 1.46 -2.76 -0.60 -0.02 -0.48 -3.42 135.00 125.65 1kqa n PRO 148 Ca 0.10 0.53 -0.20 0.00 -2.02 0.00 0.00 63.50 61.90 1kqa n PRO 148 Cb 0.60 -2.14 0.01 0.00 -0.02 0.00 0.00 33.50 31.95 1kqa n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kqa n GLY 149 N 1.10 -0.51 3.89 -1.23 0.00 -0.21 -4.93 105.19 103.30 1kqa n GLY 149 Ca 0.09 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1kqa n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kqa s VAL 150 N -2.99 5.40 -0.16 1.61 1.01 -1.22 -4.86 120.40 119.19 1kqa s VAL 150 Ca 0.16 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1kqa s VAL 150 Cb -0.08 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1kqa s VAL 150 CO 0.20 0.42 -0.19 -0.89 0.00 0.00 0.00 175.10 174.64 1kqa s THR 151 N -1.23 2.21 -0.29 3.92 2.01 -1.26 -1.49 115.64 119.52 1kqa s THR 151 Ca 0.24 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 1kqa s THR 151 Cb -0.13 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 1kqa s THR 151 CO 0.14 0.53 0.15 -0.63 -0.69 0.00 0.00 174.62 174.12 1kqa s ILE 152 N 1.03 4.75 1.05 1.82 -1.09 0.18 -1.17 121.20 127.76 1kqa s ILE 152 Ca -0.02 -0.19 -0.12 0.00 -2.23 0.00 0.00 60.65 58.09 1kqa s ILE 152 Cb -0.14 -3.33 0.22 0.00 -1.58 0.00 0.00 42.46 37.62 1kqa s ILE 152 CO -0.06 0.18 1.07 -0.83 -1.23 0.00 0.00 174.94 174.07 1kqa s GLY 153 N 1.66 1.59 0.42 6.18 0.00 -0.51 0.91 107.32 117.57 1kqa s GLY 153 Ca 0.06 0.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.58 1kqa s GLY 153 CO 0.07 0.66 1.37 0.99 0.00 0.00 0.00 173.10 176.19 1kqa s ASP 154 N -2.75 6.11 0.00 1.64 1.11 -1.26 -3.17 116.67 118.35 1kqa s ASP 154 Ca 0.67 2.80 0.00 0.00 0.18 0.00 0.00 52.55 56.20 1kqa s ASP 154 Cb -0.23 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.11 1kqa s ASP 154 CO 0.61 -1.00 0.00 0.59 1.18 0.00 0.00 175.17 176.55 1kqa n ASN 155 N 0.00 -2.67 -4.86 0.27 3.02 0.64 -1.26 115.26 110.40 1kqa n ASN 155 Ca 0.04 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.29 1kqa n ASN 155 Cb 0.42 -2.54 0.04 0.00 -0.61 0.00 0.00 39.78 37.10 1kqa n ASN 155 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1kqa s SER 156 N -2.08 5.65 -0.04 6.41 0.01 -1.19 -4.44 113.70 118.01 1kqa s SER 156 Ca 0.00 1.32 0.03 0.00 1.31 0.00 0.00 55.95 58.61 1kqa s SER 156 Cb 0.00 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1kqa s SER 156 CO 0.00 -1.23 -0.14 -0.69 0.41 0.00 0.00 173.24 171.59 1kqa s VAL 157 N -3.23 1.19 -0.24 3.43 1.01 -0.56 -2.02 120.40 119.98 1kqa s VAL 157 Ca 0.57 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1kqa s VAL 157 Cb -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1kqa s VAL 157 CO 0.53 0.35 -0.03 -0.63 0.00 0.00 0.00 175.10 175.33 1kqa s ILE 158 N 0.17 3.30 0.92 2.22 -1.09 -0.46 -0.63 121.20 125.64 1kqa s ILE 158 Ca -0.05 -0.68 -0.10 0.00 -2.23 0.00 0.00 60.65 57.58 1kqa s ILE 158 Cb -0.11 -2.58 0.15 0.00 -1.58 0.00 0.00 42.46 38.33 1kqa s ILE 158 CO 0.02 0.31 1.13 -0.83 -1.23 0.00 0.00 174.94 174.33 1kqa s GLY 159 N 1.44 1.67 0.35 6.18 0.00 0.11 -0.19 107.32 116.87 1kqa s GLY 159 Ca 0.04 0.46 -0.29 0.00 0.00 0.00 0.00 44.72 44.94 1kqa s GLY 159 CO -0.03 0.90 1.46 0.00 0.00 0.00 0.00 173.10 175.44 1kqa n ALA 160 N -4.21 2.10 -0.54 3.20 0.00 -1.26 -2.71 120.51 117.09 1kqa n ALA 160 Ca 0.10 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1kqa n ALA 160 Cb 0.52 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1kqa n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kqa n GLY 161 N 0.94 1.67 3.76 0.00 0.00 0.18 -4.78 105.19 106.97 1kqa n GLY 161 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1kqa n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kqa s SER 162 N -3.29 5.31 -0.40 1.61 1.04 -1.10 -4.75 113.70 112.12 1kqa s SER 162 Ca 0.00 2.30 -0.00 0.00 0.48 0.00 0.00 55.95 58.73 1kqa s SER 162 Cb 0.00 -2.59 0.11 0.00 0.10 0.00 0.00 66.02 63.64 1kqa s SER 162 CO 0.00 -1.51 0.16 -0.63 0.98 0.00 0.00 173.24 172.24 1kqa s ILE 163 N -1.71 2.92 -0.60 -1.02 -1.09 -0.86 -1.52 121.20 117.31 1kqa s ILE 163 Ca 0.75 -2.23 -0.26 0.00 -2.23 0.00 0.00 60.65 56.68 1kqa s ILE 163 Cb -0.28 -3.05 0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1kqa s ILE 163 CO 0.32 -0.67 1.10 -0.69 -1.23 0.00 0.00 174.94 173.77 1kqa s VAL 164 N 0.97 4.12 -0.17 2.92 1.01 0.69 -0.96 120.40 128.99 1kqa s VAL 164 Ca 0.10 0.51 0.17 0.00 0.00 0.00 0.00 61.98 62.76 1kqa s VAL 164 Cb -0.21 -4.69 -0.24 0.00 0.00 0.00 0.00 36.38 31.23 1kqa s VAL 164 CO -0.05 -1.36 0.12 0.35 0.00 0.00 0.00 175.10 174.15 1kqa n THR 165 N 6.40 1.12 -4.49 3.92 -2.24 -1.26 -1.59 114.28 116.15 1kqa n THR 165 Ca 0.04 -0.76 -0.25 0.00 -2.27 0.00 0.00 64.05 60.81 1kqa n THR 165 Cb 0.48 -0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 1kqa n THR 165 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1kqa s LYS 166 N -2.59 1.84 0.65 -0.78 1.02 -1.26 -4.87 119.74 113.75 1kqa s LYS 166 Ca -0.09 -1.85 -0.18 0.00 0.02 0.00 0.00 55.97 53.87 1kqa s LYS 166 Cb 0.07 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.60 1kqa s LYS 166 CO 0.78 0.19 1.25 -0.51 -0.92 0.00 0.00 175.35 176.14 1kqa s ASP 167 N -3.60 4.70 -0.11 2.83 1.01 -1.26 -4.79 116.67 115.44 1kqa s ASP 167 Ca 0.32 2.49 0.01 0.00 0.71 0.00 0.00 52.55 56.08 1kqa s ASP 167 Cb -0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1kqa s ASP 167 CO 0.17 -1.93 -0.15 -0.63 0.21 0.00 0.00 175.17 172.83 1kqa s ILE 168 N -1.59 2.90 0.83 0.77 -1.09 -0.32 -4.96 121.20 117.74 1kqa s ILE 168 Ca 0.79 -0.73 -0.11 0.00 -2.23 0.00 0.00 60.65 58.37 1kqa s ILE 168 Cb -0.33 -2.19 0.09 0.00 -1.58 0.00 0.00 42.46 38.45 1kqa s ILE 168 CO 0.39 0.54 1.09 -2.84 -1.23 0.00 0.00 174.94 172.89 1kqa s PRO 169 N 0.21 1.80 0.92 2.79 0.02 -1.26 -1.42 135.00 138.05 1kqa s PRO 169 Ca -0.09 0.90 -0.12 0.00 0.02 0.00 0.00 61.00 61.71 1kqa s PRO 169 Cb -0.16 -1.86 0.14 0.00 0.02 0.00 0.00 34.50 32.65 1kqa s PRO 169 CO 0.05 -1.89 1.10 -2.14 -0.33 0.00 0.00 177.00 173.80 1kqa s PRO 170 N -4.97 1.04 -1.26 5.54 0.02 -1.26 -3.97 135.00 130.14 1kqa s PRO 170 Ca 0.62 0.57 -0.07 0.00 0.02 0.00 0.00 61.00 62.14 1kqa s PRO 170 Cb -0.17 -1.80 0.05 0.00 0.02 0.00 0.00 34.50 32.60 1kqa s PRO 170 CO 0.56 -2.33 0.42 0.09 -0.33 0.00 0.00 177.00 175.41 1kqa n ASN 171 N -3.91 -3.95 -4.42 2.53 3.02 -0.39 -4.90 115.26 103.26 1kqa n ASN 171 Ca 0.06 -0.27 -0.27 0.00 -0.03 0.00 0.00 54.58 54.07 1kqa n ASN 171 Cb 0.57 -3.27 -0.09 0.00 -0.61 0.00 0.00 39.78 36.38 1kqa n ASN 171 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1kqa s VAL 172 N -2.89 1.02 -0.18 2.41 -7.23 -1.25 -0.53 120.40 111.74 1kqa s VAL 172 Ca 0.32 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1kqa s VAL 172 Cb -0.17 -2.45 0.04 0.00 0.56 0.00 0.00 36.38 34.37 1kqa s VAL 172 CO 0.39 0.00 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.40 1kqa s VAL 173 N -3.08 1.51 0.11 1.32 1.01 -0.64 -1.50 120.40 119.14 1kqa s VAL 173 Ca 0.22 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.43 1kqa s VAL 173 Cb 0.04 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1kqa s VAL 173 CO 0.12 0.21 -0.21 0.00 0.00 0.00 0.00 175.10 175.21 1kqa s ALA 174 N 1.46 2.56 0.11 5.51 0.00 0.20 0.42 121.76 132.02 1kqa s ALA 174 Ca 0.00 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 50.34 1kqa s ALA 174 Cb -0.15 -0.57 0.07 0.00 0.00 0.00 0.00 23.12 22.47 1kqa s ALA 174 CO -0.08 0.57 0.87 0.00 0.00 0.00 0.00 175.76 177.12 1kqa s ALA 175 N -1.07 -1.67 0.00 0.00 0.00 -0.76 0.06 121.76 118.32 1kqa s ALA 175 Ca 0.16 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1kqa s ALA 175 Cb -0.10 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1kqa s ALA 175 CO 0.08 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1kqa n GLY 176 N -0.38 2.39 2.76 0.00 0.00 -1.26 -1.65 105.19 107.04 1kqa n GLY 176 Ca -0.08 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.56 1kqa n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kqa s VAL 177 N -2.19 1.18 0.62 1.61 1.01 -1.26 -1.10 120.40 120.27 1kqa s VAL 177 Ca 0.00 -1.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.02 1kqa s VAL 177 Cb 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1kqa s VAL 177 CO 0.00 -0.73 1.03 -2.16 0.00 0.00 0.00 175.10 173.24 1kqa s PRO 178 N 1.16 3.50 0.24 2.72 0.04 -1.26 -5.02 135.00 136.38 1kqa s PRO 178 Ca 0.12 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 61.69 1kqa s PRO 178 Cb -0.20 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.15 1kqa s PRO 178 CO -0.16 -0.65 1.58 0.00 0.04 0.00 0.00 177.00 177.82 1kqa s ARG 180 N 0.15 0.33 0.05 0.00 0.52 -0.66 -4.81 118.95 114.53 1kqa s ARG 180 Ca 0.70 -0.63 -0.31 0.00 -0.52 0.00 0.00 55.73 54.97 1kqa s ARG 180 Cb -0.56 0.08 -0.07 0.00 0.52 0.00 0.00 34.95 34.91 1kqa s ARG 180 CO 0.43 -0.04 1.53 0.08 0.02 0.00 0.00 175.30 177.32 1kqa s VAL 181 N -1.50 3.28 -0.15 3.52 1.01 -1.26 -1.83 120.40 123.48 1kqa s VAL 181 Ca -0.15 0.75 -0.18 0.00 0.00 0.00 0.00 61.98 62.40 1kqa s VAL 181 Cb -0.10 -3.48 -0.15 0.00 0.00 0.00 0.00 36.38 32.65 1kqa s VAL 181 CO -0.01 0.01 0.32 0.40 0.00 0.00 0.00 175.10 175.81 1kqa h ILE 182 N 4.74 0.91 -2.79 2.22 1.08 -0.36 -3.48 117.51 119.83 1kqa h ILE 182 Ca -0.41 -1.81 0.06 0.00 -0.39 0.00 0.00 64.86 62.32 1kqa h ILE 182 Cb 1.19 1.84 -0.01 0.00 -3.07 0.00 0.00 36.82 36.77 1kqa h ILE 182 CO 0.91 0.31 0.42 0.00 -0.69 0.00 0.00 178.15 179.10 1kqa s ARG 183 N -2.11 1.82 0.06 2.37 1.70 -1.17 -5.02 118.95 116.60 1kqa s ARG 183 Ca -0.17 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 53.93 1kqa s ARG 183 Cb 0.01 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 1kqa s ARG 183 CO 0.44 -0.85 0.19 -2.00 -1.08 0.00 0.00 175.30 172.00 1kqa s GLU 184 N -2.25 3.35 -0.69 3.89 2.12 -1.26 -1.62 118.70 122.24 1kqa s GLU 184 Ca 0.18 -0.48 -0.27 0.00 0.36 0.00 0.00 54.97 54.76 1kqa s GLU 184 Cb -0.04 -2.99 0.02 0.00 0.26 0.00 0.00 34.13 31.38 1kqa s GLU 184 CO 0.09 0.60 1.42 0.42 -0.54 0.00 0.00 175.26 177.25 1kqa s ILE 185 N -1.48 3.65 0.00 -3.70 1.01 0.32 -4.89 121.20 116.11 1kqa s ILE 185 Ca 0.34 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1kqa s ILE 185 Cb -0.13 -4.66 0.00 0.00 0.01 0.00 0.00 42.46 37.68 1kqa s ILE 185 CO 0.27 -1.58 0.00 -0.46 0.00 0.00 0.00 174.94 173.17 1kqa n ASN 186 N 10.10 0.00 0.02 3.58 0.23 -1.26 -4.98 115.26 122.96 1kqa n ASN 186 Ca 0.08 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.24 1kqa n ASN 186 Cb 0.50 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.30 1kqa n ASN 186 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1kqa n ASP 187 N 0.00 0.63 0.14 0.53 8.00 -1.26 -3.64 116.55 120.94 1kqa n ASP 187 Ca 0.00 -0.24 0.03 0.00 0.71 0.00 0.00 54.79 55.29 1kqa n ASP 187 Cb 0.00 0.55 0.42 0.00 -0.02 0.00 0.00 41.12 42.07 1kqa n ASP 187 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1kqa h ARG 188 N 0.00 0.20 0.00 -1.24 2.43 -1.95 0.06 114.38 113.88 1kqa h ARG 188 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1kqa h ARG 188 Cb 0.64 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1kqa h ARG 188 CO 0.00 0.33 0.00 -0.25 -1.51 0.00 0.00 179.97 178.54 1kqa n ASP 189 N -4.30 0.05 0.04 -3.80 8.00 -1.24 -0.95 116.55 114.35 1kqa n ASP 189 Ca -0.01 0.52 0.13 0.00 0.71 0.00 0.00 54.79 56.14 1kqa n ASP 189 Cb 0.25 -0.53 0.41 0.00 -0.02 0.00 0.00 41.12 41.23 1kqa n ASP 189 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1kqa n LYS 190 N -1.56 0.13 -0.02 -1.24 4.76 0.01 -4.31 118.16 115.94 1kqa n LYS 190 Ca 0.02 0.08 -0.03 0.00 -2.87 0.00 0.00 58.31 55.51 1kqa n LYS 190 Cb 0.11 -1.62 -0.01 0.00 -1.84 0.00 0.00 35.03 31.66 1kqa n LYS 190 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1kqa n HIS 191 N -1.84 0.00 -3.21 2.13 8.25 -0.13 -4.91 115.22 115.51 1kqa n HIS 191 Ca 0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.12 1kqa n HIS 191 Cb 0.38 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 1kqa n HIS 191 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1kqa s TYR 192 N -2.06 3.36 -0.05 4.41 1.51 -0.41 -2.06 117.35 122.04 1kqa s TYR 192 Ca -0.05 0.79 0.16 0.00 -1.01 0.00 0.00 57.07 56.96 1kqa s TYR 192 Cb 0.02 -2.71 -0.23 0.00 -0.11 0.00 0.00 41.96 38.92 1kqa s TYR 192 CO 0.06 -0.15 0.28 2.48 -1.11 0.00 0.00 175.55 177.11 1kqa n TYR 193 N 4.96 0.00 -3.59 2.71 0.18 -0.98 -4.37 117.16 116.07 1kqa n TYR 193 Ca -0.04 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.59 1kqa n TYR 193 Cb 0.50 -0.47 -0.06 0.00 -0.38 0.00 0.00 39.34 38.93 1kqa n TYR 193 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 1kqa s PHE 194 N -2.93 -0.45 0.00 -3.48 5.36 -1.26 -5.05 117.98 110.18 1kqa s PHE 194 Ca -0.06 0.62 0.00 0.00 -0.96 0.00 0.00 56.93 56.53 1kqa s PHE 194 Cb 0.09 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 43.08 1kqa s PHE 194 CO 0.66 -0.59 0.00 1.63 -1.46 0.00 0.00 175.22 175.46 1kqa n LYS 195 N 0.70 0.00 -1.17 10.12 5.02 -1.26 -0.82 118.16 130.74 1kqa n LYS 195 Ca -0.19 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.03 1kqa n LYS 195 Cb 0.59 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.73 1kqa n LYS 195 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1kqa n ASP 196 N 0.00 3.13 -4.58 4.39 5.75 -1.26 -5.02 116.55 118.96 1kqa n ASP 196 Ca 0.00 -3.84 -0.37 0.00 -0.01 0.00 0.00 54.79 50.58 1kqa n ASP 196 Cb 0.00 -0.48 -0.11 0.00 -1.03 0.00 0.00 41.12 39.50 1kqa n ASP 196 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1kqa s TYR 197 N -3.39 3.22 0.79 2.11 1.51 -0.00 -5.05 117.35 116.53 1kqa s TYR 197 Ca 0.44 0.00 -0.04 0.00 -1.01 0.00 0.00 57.07 56.47 1kqa s TYR 197 Cb 0.39 -2.26 0.16 0.00 -0.11 0.00 0.00 41.96 40.14 1kqa s TYR 197 CO -0.02 -0.09 1.09 -1.59 -1.11 0.00 0.00 175.55 173.83 1kqa s LYS 198 N 1.26 1.33 -0.13 -0.62 0.00 -1.26 -2.31 119.74 118.02 1kqa s LYS 198 Ca 0.06 -1.05 0.03 0.00 0.00 0.00 0.00 55.97 55.01 1kqa s LYS 198 Cb -0.14 -2.22 -0.24 0.00 0.00 0.00 0.00 37.83 35.23 1kqa s LYS 198 CO 0.05 -1.74 0.32 0.28 0.00 0.00 0.00 175.35 174.26 1kqa n VAL 199 N -3.08 1.64 -4.21 1.79 0.31 -0.87 -4.87 118.33 109.03 1kqa n VAL 199 Ca 0.16 -0.71 -0.18 0.00 -0.01 0.00 0.00 64.34 63.60 1kqa n VAL 199 Cb 0.60 -1.33 -0.15 0.00 -0.91 0.00 0.00 33.84 32.05 1kqa n VAL 199 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1kqa s GLU 200 N -2.56 0.68 0.00 5.55 2.02 -1.26 -5.19 118.70 117.94 1kqa s GLU 200 Ca -0.18 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1kqa s GLU 200 Cb 0.07 -0.68 0.00 0.00 0.10 0.00 0.00 34.13 33.62 1kqa s GLU 200 CO 0.77 0.04 0.00 -1.13 0.02 0.00 0.00 175.26 174.95