#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkm n SER 2 N 0.00 0.00 -0.33 6.12 2.88 -1.26 -4.94 113.62 116.09 2qkm n SER 2 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2qkm n SER 2 Cb 0.00 0.10 0.08 0.00 -0.75 0.00 0.00 64.21 63.63 2qkm n SER 2 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2qkm n PHE 3 N -1.84 0.22 -0.34 0.66 3.72 -1.26 -4.75 117.46 113.87 2qkm n PHE 3 Ca 0.00 -0.45 0.18 0.00 -0.05 0.00 0.00 57.45 57.13 2qkm n PHE 3 Cb 0.00 -0.03 0.40 0.00 -0.94 0.00 0.00 39.48 38.91 2qkm n PHE 3 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2qkm h THR 4 N 1.10 0.56 -0.01 4.37 2.02 -1.92 -2.31 112.91 116.71 2qkm h THR 4 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2qkm h THR 4 Cb 0.59 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2qkm h THR 4 CO 0.00 0.10 -0.07 -0.46 0.37 0.00 0.00 175.52 175.46 2qkm n ASN 5 N -4.82 1.89 -4.71 4.18 6.94 -1.26 -4.85 115.26 112.63 2qkm n ASN 5 Ca 0.26 -1.44 -0.42 0.00 -0.02 0.00 0.00 54.58 52.96 2qkm n ASN 5 Cb 0.75 0.13 -0.03 0.00 -2.36 0.00 0.00 39.78 38.27 2qkm n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qkm s ALA 6 N -1.22 3.71 0.54 -2.53 0.00 -0.87 -5.01 121.76 116.38 2qkm s ALA 6 Ca 0.14 1.26 -0.19 0.00 0.00 0.00 0.00 51.96 53.17 2qkm s ALA 6 Cb 0.11 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 2qkm s ALA 6 CO 0.20 -0.83 1.08 0.95 0.00 0.00 0.00 175.76 177.16 2qkm s THR 7 N 1.54 3.54 0.33 0.00 -4.23 -1.26 -4.84 115.64 110.71 2qkm s THR 7 Ca 0.70 0.90 0.11 0.00 -1.18 0.00 0.00 61.69 62.21 2qkm s THR 7 Cb -0.41 -3.36 0.32 0.00 1.34 0.00 0.00 72.50 70.39 2qkm s THR 7 CO 0.31 -0.27 1.72 0.15 -0.54 0.00 0.00 174.62 175.99 2qkm h PHE 8 N 1.13 0.98 -0.36 3.99 3.57 -1.99 0.32 116.94 124.58 2qkm h PHE 8 Ca -0.49 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 60.98 2qkm h PHE 8 Cb 1.24 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2qkm h PHE 8 CO 0.55 0.02 -0.05 1.03 -2.23 0.00 0.00 178.31 177.63 2qkm h SER 9 N 0.53 0.56 0.48 0.41 0.87 -2.00 -1.42 113.55 112.98 2qkm h SER 9 Ca 0.66 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.97 2qkm h SER 9 Cb 1.33 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 2qkm h SER 9 CO -0.49 0.67 -0.55 1.56 -0.53 0.00 0.00 176.83 177.49 2qkm h GLN 10 N 0.55 0.08 -0.25 2.24 4.20 -0.80 -2.64 115.11 118.49 2qkm h GLN 10 Ca 0.11 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2qkm h GLN 10 Cb 0.43 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2qkm h GLN 10 CO 0.02 0.61 -0.11 0.28 -0.67 0.00 0.00 178.83 178.96 2qkm h VAL 11 N 0.06 1.30 -0.32 -0.54 2.07 -0.36 -2.44 116.25 116.03 2qkm h VAL 11 Ca -0.00 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 2qkm h VAL 11 Cb 0.99 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2qkm h VAL 11 CO 0.08 0.37 0.00 -0.07 0.02 0.00 0.00 177.57 177.97 2qkm h LEU 12 N 0.25 0.55 -0.56 2.57 3.38 -1.28 -1.76 115.31 118.46 2qkm h LEU 12 Ca 0.06 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.82 2qkm h LEU 12 Cb 0.61 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 2qkm h LEU 12 CO 0.04 0.72 0.14 0.44 0.09 0.00 0.00 178.44 179.87 2qkm h ASP 13 N 0.36 0.06 -0.84 -0.43 5.19 -1.50 0.87 116.42 120.14 2qkm h ASP 13 Ca 0.09 0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 2qkm h ASP 13 Cb 0.43 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.02 2qkm h ASP 13 CO 0.02 0.05 0.44 -0.78 -3.12 0.00 0.00 179.24 175.85 2qkm h ASP 14 N 0.29 1.06 0.27 6.45 3.58 -1.16 -1.93 116.42 124.97 2qkm h ASP 14 Ca 0.29 -0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.52 2qkm h ASP 14 Cb 0.40 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2qkm h ASP 14 CO -0.35 0.87 -0.45 -0.07 -2.88 0.00 0.00 179.24 176.35 2qkm h LEU 15 N 1.17 0.24 -0.50 2.28 3.38 -0.44 0.14 115.31 121.59 2qkm h LEU 15 Ca 0.29 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2qkm h LEU 15 Cb 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qkm h LEU 15 CO -0.04 0.66 0.29 0.28 0.09 0.00 0.00 178.44 179.73 2qkm h SER 16 N 0.19 0.61 -0.13 -0.43 0.02 -0.14 -1.46 113.55 112.19 2qkm h SER 16 Ca 0.01 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 2qkm h SER 16 Cb 0.88 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2qkm h SER 16 CO 0.07 0.49 -0.37 0.00 -1.14 0.00 0.00 176.83 175.88 2qkm h ALA 17 N 1.14 0.22 0.00 3.77 0.00 -1.10 -2.15 119.26 121.15 2qkm h ALA 17 Ca 0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2qkm h ALA 17 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qkm h ALA 17 CO -0.03 0.31 -0.12 -0.09 0.00 0.00 0.00 179.25 179.31 2qkm h ARG 18 N 0.09 0.00 0.00 0.00 2.43 -0.61 -3.41 114.38 112.89 2qkm h ARG 18 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2qkm h ARG 18 Cb 0.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2qkm h ARG 18 CO 0.08 0.12 -0.26 1.19 -1.51 0.00 0.00 179.97 179.59 2qkm n PHE 19 N -3.47 -0.14 -1.57 2.20 3.72 -0.56 -5.06 117.46 112.58 2qkm n PHE 19 Ca -0.01 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2qkm n PHE 19 Cb 0.28 0.37 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 2qkm n PHE 19 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2qkm n ILE 20 N -2.70 0.00 0.00 4.37 2.08 -0.81 -4.71 119.36 117.59 2qkm n ILE 20 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2qkm n ILE 20 Cb 0.13 -1.52 0.00 0.00 -0.75 0.00 0.00 39.64 37.50 2qkm n ILE 20 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2qkm n LEU 21 N 0.00 0.00 -2.63 1.39 4.77 -1.24 -4.42 117.00 114.87 2qkm n LEU 21 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 2qkm n LEU 21 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2qkm n LEU 21 CO 0.00 0.00 0.14 0.59 -1.33 0.00 0.00 177.39 176.79 2qkm n ASN 22 N 0.37 4.20 -4.90 -1.43 3.02 -1.26 -5.07 115.26 110.19 2qkm n ASN 22 Ca 0.00 -3.59 -0.33 0.00 -0.03 0.00 0.00 54.58 50.63 2qkm n ASN 22 Cb 0.00 -0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 38.63 2qkm n ASN 22 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qkm s LEU 23 N -3.44 4.34 1.03 3.41 1.43 -1.26 -5.05 118.68 119.13 2qkm s LEU 23 Ca 0.46 0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 53.86 2qkm s LEU 23 Cb 0.37 -2.91 0.09 0.00 0.03 0.00 0.00 46.19 43.77 2qkm s LEU 23 CO -0.15 0.18 0.36 -2.65 0.23 0.00 0.00 176.35 174.32 2qkm n PRO 24 N 0.58 -0.93 0.13 1.29 -0.02 -1.26 -4.92 135.00 129.88 2qkm n PRO 24 Ca -0.07 -0.24 -0.10 0.00 -2.02 0.00 0.00 63.50 61.07 2qkm n PRO 24 Cb 0.52 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 32.09 2qkm n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qkm h ALA 25 N -1.85 -0.92 -0.94 3.55 0.00 -2.00 -3.02 119.26 114.07 2qkm h ALA 25 Ca -0.48 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 54.62 2qkm h ALA 25 Cb 1.31 0.57 -0.16 0.00 0.00 0.00 0.00 17.79 19.51 2qkm h ALA 25 CO 0.37 -0.96 0.24 0.93 0.00 0.00 0.00 179.25 179.84 2qkm h GLU 26 N -0.51 0.11 -1.50 0.00 5.08 -2.06 -2.33 114.58 113.37 2qkm h GLU 26 Ca -0.03 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.05 2qkm h GLU 26 Cb 0.46 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.56 2qkm h GLU 26 CO -0.07 0.08 0.35 0.39 -1.00 0.00 0.00 179.01 178.76 2qkm n GLU 27 N -5.30 1.68 -2.42 2.33 1.02 -1.14 -4.25 120.64 112.56 2qkm n GLU 27 Ca 0.25 -1.36 -0.13 0.00 -0.02 0.00 0.00 57.16 55.90 2qkm n GLU 27 Cb 0.83 -1.53 0.03 0.00 -0.02 0.00 0.00 31.44 30.75 2qkm n GLU 27 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2qkm n GLN 28 N 0.39 2.70 -1.62 3.49 -0.06 -0.88 -4.62 117.38 116.78 2qkm n GLN 28 Ca 0.26 -3.86 -0.02 0.00 -2.00 0.00 0.00 57.00 51.38 2qkm n GLN 28 Cb 0.63 -1.95 0.00 0.00 -4.06 0.00 0.00 30.24 24.86 2qkm n GLN 28 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2qkm n SER 29 N -0.63 -0.05 -3.82 1.69 7.64 -1.26 -5.10 113.62 112.09 2qkm n SER 29 Ca 0.26 -2.03 -0.17 0.00 1.01 0.00 0.00 58.87 57.95 2qkm n SER 29 Cb 0.88 0.05 -0.16 0.00 -1.01 0.00 0.00 64.21 63.97 2qkm n SER 29 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2qkm s SER 30 N -1.71 0.38 0.21 6.43 0.15 -1.26 -4.99 113.70 112.91 2qkm s SER 30 Ca 0.16 -0.02 0.13 0.00 0.70 0.00 0.00 55.95 56.93 2qkm s SER 30 Cb 0.24 -0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.31 2qkm s SER 30 CO -0.08 -0.10 1.31 -0.37 1.20 0.00 0.00 173.24 175.20 2qkm h VAL 31 N 6.21 1.00 0.23 4.45 -1.51 -1.99 -3.27 116.25 121.38 2qkm h VAL 31 Ca -0.43 -2.47 0.01 0.00 -1.23 0.00 0.00 66.70 62.58 2qkm h VAL 31 Cb 1.13 2.47 -0.04 0.00 -2.13 0.00 0.00 31.29 32.73 2qkm h VAL 31 CO 0.48 0.57 -0.42 -0.33 -1.23 0.00 0.00 177.57 176.65 2qkm h GLU 32 N 0.00 -0.69 -0.74 5.19 4.39 -1.99 0.33 114.58 121.07 2qkm h GLU 32 Ca -0.03 0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.84 2qkm h GLU 32 Cb 1.51 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 30.23 2qkm h GLU 32 CO 0.08 -0.46 0.32 -0.09 -1.16 0.00 0.00 179.01 177.69 2qkm h ARG 33 N -0.72 0.47 0.11 2.33 1.12 -1.93 0.08 114.38 115.84 2qkm h ARG 33 Ca -0.00 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2qkm h ARG 33 Cb 0.70 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.56 2qkm h ARG 33 CO -0.18 0.31 -0.05 1.25 -3.11 0.00 0.00 179.97 178.20 2qkm h LEU 34 N 0.49 -0.12 -0.82 3.80 5.85 -1.46 -1.47 115.31 121.58 2qkm h LEU 34 Ca 0.39 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.92 2qkm h LEU 34 Cb 0.55 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2qkm h LEU 34 CO -0.36 0.14 0.54 0.00 -0.34 0.00 0.00 178.44 178.42 2qkm h PHE 36 N 1.10 1.17 -0.02 0.00 3.57 -0.86 -0.82 116.94 121.08 2qkm h PHE 36 Ca 0.30 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.64 2qkm h PHE 36 Cb -0.12 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.22 2qkm h PHE 36 CO -0.02 0.65 -0.82 1.96 -2.23 0.00 0.00 178.31 177.86 2qkm h GLN 37 N 1.19 0.26 -0.67 1.11 1.08 -0.19 -2.50 115.11 115.38 2qkm h GLN 37 Ca 0.39 -0.25 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2qkm h GLN 37 Cb 0.05 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2qkm h GLN 37 CO -0.14 0.94 0.23 0.82 -0.95 0.00 0.00 178.83 179.73 2qkm h ILE 38 N 0.16 1.25 -0.38 2.54 2.04 -0.29 -1.73 117.51 121.10 2qkm h ILE 38 Ca -0.04 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 2qkm h ILE 38 Cb 1.42 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2qkm h ILE 38 CO 0.13 0.32 0.05 -0.08 0.00 0.00 0.00 178.15 178.57 2qkm h GLU 39 N 0.97 0.58 0.08 2.37 4.81 -1.02 -1.44 114.58 120.93 2qkm h GLU 39 Ca 0.22 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2qkm h GLU 39 Cb 0.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2qkm h GLU 39 CO -0.01 0.57 -0.04 1.96 -0.73 0.00 0.00 179.01 180.76 2qkm h GLN 40 N 0.56 -0.10 -0.32 1.92 1.08 -0.99 -2.75 115.11 114.52 2qkm h GLN 40 Ca 0.12 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.40 2qkm h GLN 40 Cb 0.29 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.66 2qkm h GLN 40 CO 0.00 0.09 -0.22 0.00 -0.95 0.00 0.00 178.83 177.75 2qkm h ALA 41 N 0.64 -0.03 -0.67 3.87 0.00 -1.14 -1.71 119.26 120.23 2qkm h ALA 41 Ca -0.01 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.12 2qkm h ALA 41 Cb 0.23 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 2qkm h ALA 41 CO 0.02 -0.62 0.23 1.25 0.00 0.00 0.00 179.25 180.12 2qkm h HIS 42 N -0.19 0.38 -0.43 0.00 -0.00 -1.18 0.14 115.15 113.88 2qkm h HIS 42 Ca 0.16 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.43 2qkm h HIS 42 Cb 0.44 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 2qkm h HIS 42 CO -0.41 0.04 -0.28 -1.49 -0.00 0.00 0.00 177.93 175.79 2qkm h TRP 43 N 0.38 1.07 -0.38 5.26 -0.00 -1.23 -0.49 115.95 120.55 2qkm h TRP 43 Ca 0.35 -0.28 -0.00 0.00 -0.00 0.00 0.00 58.89 58.96 2qkm h TRP 43 Cb 0.50 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 29.40 2qkm h TRP 43 CO -0.19 1.08 0.22 0.35 -0.00 0.00 0.00 178.44 179.90 2qkm h PHE 44 N 0.78 0.50 -0.12 0.49 3.57 -0.31 0.29 116.94 122.15 2qkm h PHE 44 Ca 0.09 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.61 2qkm h PHE 44 Cb 0.85 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2qkm h PHE 44 CO 0.05 0.37 -0.05 -0.92 -2.23 0.00 0.00 178.31 175.53 2qkm h TYR 45 N 0.49 -0.12 -0.69 0.41 3.20 -0.69 -0.57 116.97 119.01 2qkm h TYR 45 Ca 0.14 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2qkm h TYR 45 Cb 0.01 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 2qkm h TYR 45 CO -0.03 -0.09 0.22 0.93 -1.64 0.00 0.00 178.16 177.55 2qkm h GLU 46 N -0.04 1.06 0.13 1.82 4.39 -0.69 -1.21 114.58 120.04 2qkm h GLU 46 Ca 0.07 -0.23 -0.35 0.00 0.34 0.00 0.00 59.36 59.19 2qkm h GLU 46 Cb 0.14 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2qkm h GLU 46 CO -0.14 0.92 -1.88 -0.44 -1.16 0.00 0.00 179.01 176.30 2qkm h ASP 47 N 1.00 0.42 0.00 1.42 3.32 -0.39 -3.40 116.42 118.79 2qkm h ASP 47 Ca 0.22 -0.83 -0.24 0.00 0.02 0.00 0.00 57.03 56.21 2qkm h ASP 47 Cb 0.30 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 2qkm h ASP 47 CO -0.01 1.73 -1.80 0.49 -1.72 0.00 0.00 179.24 177.93 2qkm n PHE 48 N -3.46 0.00 0.18 4.55 3.72 -0.24 -4.38 117.46 117.83 2qkm n PHE 48 Ca -0.28 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 56.98 2qkm n PHE 48 Cb 1.05 -0.51 -0.08 0.00 -0.94 0.00 0.00 39.48 39.00 2qkm n PHE 48 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2qkm h ILE 49 N -0.50 0.68 -0.57 4.37 2.04 -1.39 -3.04 117.51 119.11 2qkm h ILE 49 Ca -0.36 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.15 2qkm h ILE 49 Cb 1.32 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 2qkm h ILE 49 CO -0.22 0.08 0.31 0.03 0.00 0.00 0.00 178.15 178.35 2qkm h ARG 50 N -0.67 0.58 0.00 2.37 3.08 -1.43 -0.57 114.38 117.75 2qkm h ARG 50 Ca -0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2qkm h ARG 50 Cb 0.47 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2qkm h ARG 50 CO 0.08 0.39 0.16 0.00 -1.07 0.00 0.00 179.97 179.52 2qkm n ALA 51 N -2.32 0.76 -0.01 0.04 0.00 -1.19 -1.04 120.51 116.74 2qkm n ALA 51 Ca 0.05 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.65 2qkm n ALA 51 Cb 0.13 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 2qkm n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qkm n GLN 52 N -1.77 0.48 -3.75 0.00 6.02 -0.26 -5.00 117.38 113.10 2qkm n GLN 52 Ca -0.01 -0.13 -0.12 0.00 -0.01 0.00 0.00 57.00 56.73 2qkm n GLN 52 Cb 0.18 -1.35 -0.12 0.00 1.02 0.00 0.00 30.24 29.97 2qkm n GLN 52 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2qkm s ASN 53 N -3.73 -0.32 -0.09 1.08 3.84 -0.21 -4.43 114.94 111.08 2qkm s ASN 53 Ca -0.05 0.61 -0.03 0.00 0.21 0.00 0.00 52.86 53.60 2qkm s ASN 53 Cb 0.09 0.56 -0.26 0.00 -0.55 0.00 0.00 41.25 41.09 2qkm s ASN 53 CO 0.62 -0.14 0.47 0.44 -2.79 0.00 0.00 177.10 175.70 2qkm h ASP 54 N 6.41 0.34 -0.63 -4.21 3.32 -1.91 -3.34 116.42 116.39 2qkm h ASP 54 Ca -0.33 -0.73 0.18 0.00 0.02 0.00 0.00 57.03 56.18 2qkm h ASP 54 Cb 1.18 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 2qkm h ASP 54 CO 0.34 1.65 0.75 0.06 -1.72 0.00 0.00 179.24 180.31 2qkm h GLN 55 N 0.06 0.00 -6.20 3.56 3.07 -1.98 -3.40 115.11 110.22 2qkm h GLN 55 Ca -0.38 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 57.79 2qkm h GLN 55 Cb 2.03 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 29.55 2qkm h GLN 55 CO 0.10 0.00 0.65 -0.51 0.09 0.00 0.00 178.83 179.16 2qkm s LEU 56 N -6.95 4.20 0.34 0.06 1.43 -1.25 -5.02 118.68 111.49 2qkm s LEU 56 Ca -0.04 1.49 -0.23 0.00 -1.03 0.00 0.00 54.13 54.33 2qkm s LEU 56 Cb 0.14 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.71 2qkm s LEU 56 CO 0.50 -0.53 0.91 -2.16 0.23 0.00 0.00 176.35 175.29 2qkm s PRO 57 N 2.44 4.40 -0.14 1.29 0.04 -1.26 -4.96 135.00 136.80 2qkm s PRO 57 Ca 0.47 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 2qkm s PRO 57 Cb -0.17 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 2qkm s PRO 57 CO 0.14 0.19 1.09 0.45 0.04 0.00 0.00 177.00 178.91 2qkm s SER 58 N -1.84 7.12 0.25 6.66 0.15 -1.26 -5.03 113.70 119.76 2qkm s SER 58 Ca 0.53 1.56 0.10 0.00 0.70 0.00 0.00 55.95 58.85 2qkm s SER 58 Cb -0.15 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 2qkm s SER 58 CO 0.20 -0.58 -0.18 -0.76 1.20 0.00 0.00 173.24 173.12 2qkm s LEU 59 N 2.61 2.58 0.69 3.45 1.43 -1.26 -5.14 118.68 123.04 2qkm s LEU 59 Ca 0.49 -1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2qkm s LEU 59 Cb -0.19 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2qkm s LEU 59 CO 0.15 -0.04 1.06 -0.83 0.23 0.00 0.00 176.35 176.91 2qkm s GLY 60 N -3.44 1.66 0.45 -3.19 0.00 -1.26 -4.83 107.32 96.71 2qkm s GLY 60 Ca 0.27 -0.01 0.13 0.00 0.00 0.00 0.00 44.72 45.10 2qkm s GLY 60 CO 0.12 0.30 2.04 -2.00 0.00 0.00 0.00 173.10 173.56 2qkm h LEU 61 N -0.65 0.13 0.18 0.66 5.85 -1.99 0.21 115.31 119.69 2qkm h LEU 61 Ca -0.44 -0.01 -0.30 0.00 0.84 0.00 0.00 57.88 57.96 2qkm h LEU 61 Cb 1.21 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 42.23 2qkm h LEU 61 CO 0.59 0.19 -1.35 -0.09 -0.34 0.00 0.00 178.44 177.43 2qkm h ARG 62 N 0.14 0.38 -0.19 1.25 2.43 -1.99 -2.19 114.38 114.22 2qkm h ARG 62 Ca 0.03 -0.65 -0.17 0.00 -0.81 0.00 0.00 59.98 58.39 2qkm h ARG 62 Cb 0.15 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2qkm h ARG 62 CO 0.01 1.31 -0.57 0.28 -1.51 0.00 0.00 179.97 179.48 2qkm h VAL 63 N 0.10 1.32 0.20 0.20 2.07 -1.79 -2.59 116.25 115.76 2qkm h VAL 63 Ca -0.19 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 2qkm h VAL 63 Cb 2.05 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.62 2qkm h VAL 63 CO 0.23 0.57 -0.09 0.15 0.02 0.00 0.00 177.57 178.44 2qkm h PHE 64 N 0.44 -0.24 -0.69 1.57 3.57 -0.71 -3.26 116.94 117.61 2qkm h PHE 64 Ca 0.00 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.62 2qkm h PHE 64 Cb 1.12 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.86 2qkm h PHE 64 CO 0.05 0.16 0.26 1.03 -2.23 0.00 0.00 178.31 177.57 2qkm h SER 65 N -0.76 0.23 -0.82 0.41 0.87 -1.38 -0.85 113.55 111.25 2qkm h SER 65 Ca -0.03 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2qkm h SER 65 Cb 0.51 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 2qkm h SER 65 CO 0.04 0.10 0.44 0.00 -0.53 0.00 0.00 176.83 176.89 2qkm h ALA 66 N 1.50 1.06 -0.31 6.23 0.00 -1.59 -0.96 119.26 125.18 2qkm h ALA 66 Ca 0.37 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2qkm h ALA 66 Cb 0.53 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2qkm h ALA 66 CO -0.38 0.58 -0.26 0.87 0.00 0.00 0.00 179.25 180.06 2qkm h LYS 67 N 1.15 0.63 -0.34 0.00 1.79 -1.25 -1.73 116.57 116.81 2qkm h LYS 67 Ca 0.29 -0.26 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 2qkm h LYS 67 Cb 0.05 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2qkm h LYS 67 CO -0.04 0.83 0.06 1.25 -1.08 0.00 0.00 179.45 180.46 2qkm h LEU 68 N 0.54 0.55 -1.54 2.94 5.85 -0.77 -2.86 115.31 120.01 2qkm h LEU 68 Ca 0.07 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2qkm h LEU 68 Cb 0.73 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2qkm h LEU 68 CO 0.06 0.67 0.34 -0.26 -0.34 0.00 0.00 178.44 178.91 2qkm h PHE 69 N 0.40 0.58 -0.04 1.25 -1.00 -0.99 -2.54 116.94 114.60 2qkm h PHE 69 Ca 0.10 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.87 2qkm h PHE 69 Cb 0.35 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 2qkm h PHE 69 CO 0.02 0.34 0.02 0.00 -1.61 0.00 0.00 178.31 177.09 2qkm n ALA 70 N -2.47 4.16 0.00 2.45 0.00 -0.67 -3.45 120.51 120.53 2qkm n ALA 70 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2qkm n ALA 70 Cb 0.13 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2qkm n ALA 70 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2qkm n HIS 71 N 1.44 0.00 -1.64 0.00 -0.00 -0.96 -4.62 115.22 109.44 2qkm n HIS 71 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.82 2qkm n HIS 71 Cb 0.52 0.00 0.20 0.00 -0.00 0.00 0.00 29.99 30.71 2qkm n HIS 71 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qkm n TRP 76 N -1.04 0.00 -4.36 0.00 -0.00 -1.26 -4.94 117.44 105.84 2qkm n TRP 76 Ca 0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.36 2qkm n TRP 76 Cb 0.71 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.93 2qkm n TRP 76 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2qkm s LYS 77 N 0.00 2.59 0.34 5.87 2.47 -1.22 -5.02 119.74 124.77 2qkm s LYS 77 Ca 0.00 -0.72 0.09 0.00 -1.56 0.00 0.00 55.97 53.78 2qkm s LYS 77 Cb 0.00 -2.54 0.61 0.00 -1.46 0.00 0.00 37.83 34.43 2qkm s LYS 77 CO 0.00 0.60 1.79 2.35 0.16 0.00 0.00 175.35 180.24 2qkm h TRP 78 N 4.31 0.20 0.00 4.03 7.01 -1.94 -3.02 115.95 126.54 2qkm h TRP 78 Ca -0.48 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.47 2qkm h TRP 78 Cb 1.17 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.18 2qkm h TRP 78 CO 0.59 0.49 0.00 0.43 -2.79 0.00 0.00 178.44 177.16 2qkm n SER 79 N -4.11 0.79 0.23 2.65 7.64 -1.26 -3.87 113.62 115.70 2qkm n SER 79 Ca -0.01 -1.58 0.10 0.00 1.01 0.00 0.00 58.87 58.38 2qkm n SER 79 Cb 0.41 -0.40 0.55 0.00 -1.01 0.00 0.00 64.21 63.76 2qkm n SER 79 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2qkm h LYS 80 N 0.21 0.00 -0.14 1.43 2.10 -1.95 -2.15 116.57 116.07 2qkm h LYS 80 Ca 0.00 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.47 2qkm h LYS 80 Cb 0.40 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2qkm h LYS 80 CO 0.00 0.21 -0.64 0.28 -2.00 0.00 0.00 179.45 177.30 2qkm h VAL 81 N 0.00 1.34 0.00 0.07 2.07 -1.88 -2.98 116.25 114.87 2qkm h VAL 81 Ca -0.00 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2qkm h VAL 81 Cb 0.58 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2qkm h VAL 81 CO 0.03 0.60 0.00 1.41 0.02 0.00 0.00 177.57 179.63 2qkm n HIS 82 N -3.91 0.00 0.15 1.57 8.25 -0.83 -2.56 115.22 117.89 2qkm n HIS 82 Ca -0.04 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.51 2qkm n HIS 82 Cb 0.66 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.84 2qkm n HIS 82 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2qkm h GLU 83 N 0.00 0.00 0.04 -0.41 4.57 -1.33 -2.28 114.58 115.18 2qkm h GLU 83 Ca 0.00 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.93 2qkm h GLU 83 Cb 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2qkm h GLU 83 CO 0.00 0.09 -1.28 0.93 -1.18 0.00 0.00 179.01 177.57 2qkm h GLU 84 N 0.00 0.09 0.00 1.92 4.39 -1.64 -2.30 114.58 117.05 2qkm h GLU 84 Ca -0.02 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 2qkm h GLU 84 Cb 1.10 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2qkm h GLU 84 CO 0.01 0.96 -0.00 0.00 -1.16 0.00 0.00 179.01 178.82 2qkm h ALA 85 N 0.83 1.00 0.07 3.43 0.00 -1.60 -2.65 119.26 120.33 2qkm h ALA 85 Ca -0.13 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 2qkm h ALA 85 Cb 1.90 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 2qkm h ALA 85 CO 0.14 0.00 -1.27 0.35 0.00 0.00 0.00 179.25 178.47 2qkm h PHE 86 N 0.00 0.26 0.00 0.00 3.57 -1.37 -3.13 116.94 116.27 2qkm h PHE 86 Ca -0.00 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 2qkm h PHE 86 Cb 0.57 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2qkm h PHE 86 CO 0.00 1.18 -0.16 -0.44 -2.23 0.00 0.00 178.31 176.66 2qkm h ASP 87 N 0.04 0.00 0.46 0.41 3.32 -1.09 -2.40 116.42 117.16 2qkm h ASP 87 Ca -0.13 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.66 2qkm h ASP 87 Cb 1.91 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.47 2qkm h ASP 87 CO 0.16 0.16 -1.13 -0.78 -1.72 0.00 0.00 179.24 175.92 2qkm h ASP 88 N 0.00 0.52 -0.21 6.45 -0.00 -1.54 -3.32 116.42 118.31 2qkm h ASP 88 Ca -0.00 -0.49 -0.04 0.00 -0.00 0.00 0.00 57.03 56.50 2qkm h ASP 88 Cb 0.50 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 39.65 2qkm h ASP 88 CO 0.02 1.33 0.05 0.49 -0.00 0.00 0.00 179.24 181.14 2qkm n PHE 89 N -3.65 0.72 0.00 0.28 3.01 -0.91 -3.72 117.46 113.19 2qkm n PHE 89 Ca -0.08 -0.40 0.00 0.00 1.01 0.00 0.00 57.45 57.98 2qkm n PHE 89 Cb 0.95 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 2qkm n PHE 89 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2qkm n LEU 90 N 0.14 0.52 -0.09 4.37 4.77 -1.19 -4.50 117.00 121.02 2qkm n LEU 90 Ca 0.11 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.17 2qkm n LEU 90 Cb 0.62 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 42.16 2qkm n LEU 90 CO 0.12 -0.00 0.79 -1.14 -1.33 0.00 0.00 177.39 175.84 2qkm n ARG 91 N -2.75 1.12 -0.00 3.23 0.63 -1.25 -3.61 116.66 114.03 2qkm n ARG 91 Ca 0.00 -0.18 0.01 0.00 -0.92 0.00 0.00 57.85 56.76 2qkm n ARG 91 Cb 0.39 -1.27 -0.02 0.00 0.45 0.00 0.00 32.46 32.01 2qkm n ARG 91 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2qkm n TYR 92 N -0.57 0.00 0.69 -0.14 4.01 -1.24 -4.46 117.16 115.45 2qkm n TYR 92 Ca 0.12 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.98 2qkm n TYR 92 Cb 0.10 -0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.30 2qkm n TYR 92 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2qkm n LYS 93 N -1.09 0.21 -3.48 -0.72 2.85 -1.24 -4.73 118.16 109.96 2qkm n LYS 93 Ca 0.00 0.05 -0.22 0.00 -1.05 0.00 0.00 58.31 57.09 2qkm n LYS 93 Cb 0.05 -1.62 -0.13 0.00 -0.65 0.00 0.00 35.03 32.68 2qkm n LYS 93 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2qkm s THR 94 N -3.12 -0.26 -0.36 0.58 -1.32 -1.25 -5.11 115.64 104.79 2qkm s THR 94 Ca 0.07 -0.46 -0.06 0.00 -1.21 0.00 0.00 61.69 60.03 2qkm s THR 94 Cb 0.15 -0.88 0.06 0.00 -1.51 0.00 0.00 72.50 70.31 2qkm s THR 94 CO 0.73 -0.47 0.14 -0.13 -2.21 0.00 0.00 174.62 172.67 2qkm s ARG 95 N 2.26 2.52 0.06 7.08 0.52 -1.26 -4.78 118.95 125.35 2qkm s ARG 95 Ca 0.08 -1.33 -0.23 0.00 -0.52 0.00 0.00 55.73 53.74 2qkm s ARG 95 Cb -0.15 -3.51 -0.06 0.00 0.52 0.00 0.00 34.95 31.74 2qkm s ARG 95 CO -0.28 -0.77 0.68 -1.50 0.02 0.00 0.00 175.30 173.45 2qkm s ILE 96 N 1.36 4.70 0.31 1.52 2.07 -1.26 -4.75 121.20 125.14 2qkm s ILE 96 Ca 0.00 1.46 -0.28 0.00 -1.41 0.00 0.00 60.65 60.42 2qkm s ILE 96 Cb -0.21 -4.03 -0.14 0.00 0.13 0.00 0.00 42.46 38.22 2qkm s ILE 96 CO 0.01 0.45 1.04 -2.65 -1.91 0.00 0.00 174.94 171.89 2qkm n PRO 97 N 2.30 1.45 -4.84 3.50 -0.02 -1.26 -4.78 135.00 131.34 2qkm n PRO 97 Ca -0.06 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.63 2qkm n PRO 97 Cb 0.50 -1.92 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 2qkm n PRO 97 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2qkm s VAL 98 N -1.08 2.12 0.00 -1.45 -7.23 -0.05 -1.02 120.40 111.69 2qkm s VAL 98 Ca 0.58 -1.41 0.04 0.00 -1.81 0.00 0.00 61.98 59.38 2qkm s VAL 98 Cb -0.67 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 2qkm s VAL 98 CO 0.60 0.33 -0.12 -0.13 -0.31 0.00 0.00 175.10 175.47 2qkm s ARG 99 N -1.31 0.92 0.00 4.82 3.00 -0.51 -1.76 118.95 124.11 2qkm s ARG 99 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 55.73 55.35 2qkm s ARG 99 Cb -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 34.95 33.96 2qkm s ARG 99 CO 0.02 0.24 0.00 0.41 0.00 0.00 0.00 175.30 175.97 2qkm n GLY 100 N 2.57 3.16 3.15 -3.53 0.00 -0.54 -2.57 105.19 107.44 2qkm n GLY 100 Ca -0.15 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 2qkm n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkm s ALA 101 N -1.05 0.88 -0.37 4.61 0.00 -1.08 -2.20 121.76 122.55 2qkm s ALA 101 Ca 0.00 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.60 2qkm s ALA 101 Cb 0.00 0.43 0.10 0.00 0.00 0.00 0.00 23.12 23.65 2qkm s ALA 101 CO 0.00 -0.35 0.10 0.42 0.00 0.00 0.00 175.76 175.93 2qkm s ILE 102 N -3.82 2.54 -0.07 0.00 1.01 0.14 -4.15 121.20 116.85 2qkm s ILE 102 Ca 0.16 -2.35 -0.26 0.00 0.00 0.00 0.00 60.65 58.20 2qkm s ILE 102 Cb 0.07 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 2qkm s ILE 102 CO -0.03 -0.64 0.82 -0.04 0.00 0.00 0.00 174.94 175.05 2qkm s MET 103 N 0.87 4.44 0.23 2.79 -1.94 -1.26 -0.38 119.30 124.05 2qkm s MET 103 Ca 0.11 1.08 0.10 0.00 -1.71 0.00 0.00 55.69 55.27 2qkm s MET 103 Cb -0.20 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.11 2qkm s MET 103 CO -0.07 -0.07 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.24 2qkm s LEU 104 N 1.21 2.85 -0.05 -0.03 1.43 0.36 -2.60 118.68 121.84 2qkm s LEU 104 Ca 0.42 -0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 52.55 2qkm s LEU 104 Cb -0.18 -1.46 -0.31 0.00 0.03 0.00 0.00 46.19 44.27 2qkm s LEU 104 CO 0.19 0.06 0.90 -2.24 0.23 0.00 0.00 176.35 175.50 2qkm h ASP 105 N 2.54 0.46 0.00 2.29 2.03 -1.76 0.37 116.42 122.36 2qkm h ASP 105 Ca -0.44 -0.95 0.00 0.00 -0.73 0.00 0.00 57.03 54.90 2qkm h ASP 105 Cb 1.23 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 2qkm h ASP 105 CO 0.56 1.39 0.00 0.80 -1.03 0.00 0.00 179.24 180.96 2qkm n MET 106 N -4.13 0.00 0.00 4.15 0.00 -1.26 -2.34 117.12 113.54 2qkm n MET 106 Ca -0.14 0.00 0.05 0.00 -0.00 0.00 0.00 57.70 57.61 2qkm n MET 106 Cb 0.82 0.00 0.24 0.00 0.00 0.00 0.00 33.22 34.28 2qkm n MET 106 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2qkm n SER 107 N 0.00 0.00 -3.60 6.12 3.41 -1.26 -4.68 113.62 113.62 2qkm n SER 107 Ca 0.00 0.38 -0.22 0.00 -0.26 0.00 0.00 58.87 58.78 2qkm n SER 107 Cb 0.00 -0.43 0.07 0.00 -0.26 0.00 0.00 64.21 63.59 2qkm n SER 107 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2qkm n MET 108 N -1.43 -6.50 -0.05 4.33 0.00 -1.26 -4.92 117.12 107.30 2qkm n MET 108 Ca 0.03 0.76 0.02 0.00 0.00 0.00 0.00 57.70 58.52 2qkm n MET 108 Cb 0.11 -5.68 0.03 0.00 0.00 0.00 0.00 33.22 27.68 2qkm n MET 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2qkm n GLN 109 N -4.47 1.92 -3.88 0.03 1.13 -1.26 -4.94 117.38 105.91 2qkm n GLN 109 Ca -0.17 -1.53 -0.11 0.00 -1.94 0.00 0.00 57.00 53.26 2qkm n GLN 109 Cb 0.62 -0.99 -0.11 0.00 0.11 0.00 0.00 30.24 29.87 2qkm n GLN 109 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2qkm s GLN 110 N -1.16 0.33 -0.07 -1.09 -0.21 -1.26 -1.99 119.66 114.20 2qkm s GLN 110 Ca 0.07 -0.26 -0.03 0.00 0.02 0.00 0.00 55.36 55.15 2qkm s GLN 110 Cb 0.06 0.14 0.04 0.00 1.00 0.00 0.00 33.01 34.24 2qkm s GLN 110 CO 0.01 -0.07 0.16 0.00 -2.12 0.00 0.00 175.29 173.27 2qkm s VAL 112 N 1.07 3.40 0.15 0.00 0.11 -1.07 -2.38 120.40 121.69 2qkm s VAL 112 Ca -0.08 0.75 0.08 0.00 -2.93 0.00 0.00 61.98 59.80 2qkm s VAL 112 Cb -0.10 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 2qkm s VAL 112 CO -0.06 -0.02 -0.19 -0.76 -3.33 0.00 0.00 175.10 170.75 2qkm s LEU 113 N 2.92 2.41 -0.37 2.54 1.43 -1.23 -4.60 118.68 121.78 2qkm s LEU 113 Ca 0.70 -0.82 0.13 0.00 -1.03 0.00 0.00 54.13 53.11 2qkm s LEU 113 Cb -0.35 -0.83 0.39 0.00 0.03 0.00 0.00 46.19 45.42 2qkm s LEU 113 CO 0.29 -0.02 0.92 0.55 0.23 0.00 0.00 176.35 178.33 2qkm n VAL 114 N 0.46 0.27 -0.25 -1.59 3.14 -1.26 -4.28 118.33 114.82 2qkm n VAL 114 Ca -0.15 -3.33 0.00 0.00 -2.96 0.00 0.00 64.34 57.90 2qkm n VAL 114 Cb 0.56 0.42 0.00 0.00 -1.06 0.00 0.00 33.84 33.76 2qkm n VAL 114 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 2qkm n TRP 123 N 0.08 0.00 0.00 1.45 7.02 -1.26 -4.96 117.44 119.77 2qkm n TRP 123 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 2qkm n TRP 123 Cb 0.74 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.63 2qkm n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2qkm n GLY 124 N 1.42 3.60 3.75 6.99 0.00 -1.26 -4.61 105.19 115.07 2qkm n GLY 124 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 2qkm n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qkm s PHE 125 N -1.62 2.22 -0.92 1.61 0.40 -1.26 -4.71 117.98 113.70 2qkm s PHE 125 Ca 0.00 1.38 -0.24 0.00 -0.60 0.00 0.00 56.93 57.47 2qkm s PHE 125 Cb 0.00 -3.81 -0.03 0.00 0.51 0.00 0.00 43.02 39.70 2qkm s PHE 125 CO 0.00 -2.98 1.85 -1.25 0.70 0.00 0.00 175.22 173.55 2qkm s PRO 126 N -2.99 2.75 0.00 0.24 0.05 -1.26 -4.81 135.00 128.98 2qkm s PRO 126 Ca 0.74 -0.43 0.00 0.00 0.05 0.00 0.00 61.00 61.36 2qkm s PRO 126 Cb -0.41 -5.10 0.00 0.00 0.05 0.00 0.00 34.50 29.04 2qkm s PRO 126 CO 0.47 -3.15 0.00 0.36 0.05 0.00 0.00 177.00 174.73 2qkm n LYS 127 N 8.87 2.10 0.00 4.56 -0.00 -1.26 -2.65 118.16 129.79 2qkm n LYS 127 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 2qkm n LYS 127 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.51 2qkm n LYS 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qkm n GLY 128 N 3.39 2.90 3.76 2.58 0.00 -1.06 -4.89 105.19 111.87 2qkm n GLY 128 Ca 0.00 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 2qkm n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qkm s LYS 129 N -2.10 3.41 0.09 1.61 1.02 -1.26 -1.42 119.74 121.08 2qkm s LYS 129 Ca 0.00 2.34 -0.31 0.00 0.02 0.00 0.00 55.97 58.02 2qkm s LYS 129 Cb 0.00 -2.46 -0.07 0.00 -0.52 0.00 0.00 37.83 34.78 2qkm s LYS 129 CO 0.00 -1.01 1.32 -1.50 -0.92 0.00 0.00 175.35 173.24 2qkm s ILE 130 N -1.25 3.58 0.65 2.17 2.07 -0.19 -4.82 121.20 123.42 2qkm s ILE 130 Ca 0.66 1.13 -0.13 0.00 -1.41 0.00 0.00 60.65 60.91 2qkm s ILE 130 Cb -0.42 -3.72 -0.01 0.00 0.13 0.00 0.00 42.46 38.43 2qkm s ILE 130 CO 0.52 0.08 1.05 -0.62 -1.91 0.00 0.00 174.94 174.07 2qkm s ASP 131 N 1.13 5.63 0.00 4.50 2.15 -1.26 -4.83 116.67 123.99 2qkm s ASP 131 Ca 0.62 1.66 0.00 0.00 0.43 0.00 0.00 52.55 55.26 2qkm s ASP 131 Cb -0.34 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.78 2qkm s ASP 131 CO 0.30 -1.27 0.00 1.17 -0.17 0.00 0.00 175.17 175.20 2qkm n LYS 132 N -2.68 0.00 -2.96 4.34 3.00 -1.26 -1.74 118.16 116.86 2qkm n LYS 132 Ca 0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.24 2qkm n LYS 132 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.58 2qkm n LYS 132 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2qkm n ASP 133 N -0.51 -1.09 -2.36 3.14 3.85 -1.26 -5.15 116.55 113.17 2qkm n ASP 133 Ca 0.00 -3.20 0.00 0.00 -0.71 0.00 0.00 54.79 50.88 2qkm n ASP 133 Cb 0.00 0.66 0.00 0.00 -1.35 0.00 0.00 41.12 40.43 2qkm n ASP 133 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2qkm n GLU 134 N 0.90 -0.64 -1.23 0.11 -0.58 -0.71 -5.09 120.64 113.40 2qkm n GLU 134 Ca 0.15 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.72 2qkm n GLU 134 Cb 0.63 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 31.62 2qkm n GLU 134 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2qkm n SER 135 N -2.94 0.18 -0.05 1.62 7.64 -1.26 -5.03 113.62 113.79 2qkm n SER 135 Ca 0.00 -1.35 -0.20 0.00 1.01 0.00 0.00 58.87 58.33 2qkm n SER 135 Cb 0.00 -0.57 -0.13 0.00 -1.01 0.00 0.00 64.21 62.50 2qkm n SER 135 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2qkm h ASP 136 N -0.93 0.17 -0.51 6.43 3.58 -2.01 -3.34 116.42 119.81 2qkm h ASP 136 Ca -0.25 -0.77 -0.07 0.00 0.42 0.00 0.00 57.03 56.36 2qkm h ASP 136 Cb 0.71 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 2qkm h ASP 136 CO 0.19 1.44 0.03 0.58 -2.88 0.00 0.00 179.24 178.60 2qkm h VAL 137 N -0.68 1.26 -0.60 2.25 2.07 -1.98 -3.15 116.25 115.42 2qkm h VAL 137 Ca -0.25 -1.03 0.11 0.00 0.82 0.00 0.00 66.70 66.35 2qkm h VAL 137 Cb 1.45 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 2qkm h VAL 137 CO -0.04 0.37 0.41 0.44 0.02 0.00 0.00 177.57 178.76 2qkm h ASP 138 N 0.75 0.31 -0.35 0.57 3.32 -1.97 -2.23 116.42 116.83 2qkm h ASP 138 Ca 0.15 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 2qkm h ASP 138 Cb 0.47 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2qkm h ASP 138 CO 0.02 0.18 -0.39 0.00 -1.72 0.00 0.00 179.24 177.33 2qkm h ALA 140 N 0.81 0.28 -0.11 0.00 0.00 -1.50 0.18 119.26 118.92 2qkm h ALA 140 Ca 0.06 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2qkm h ALA 140 Cb 0.98 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2qkm h ALA 140 CO 0.09 0.21 -0.06 0.82 0.00 0.00 0.00 179.25 180.31 2qkm h ILE 141 N 0.13 0.80 -0.87 0.00 2.04 -1.50 -0.85 117.51 117.26 2qkm h ILE 141 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 2qkm h ILE 141 Cb 0.75 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2qkm h ILE 141 CO 0.05 0.00 0.56 -0.09 0.00 0.00 0.00 178.15 178.67 2qkm h ARG 142 N -0.06 1.04 -0.03 2.37 2.43 -1.27 -0.06 114.38 118.80 2qkm h ARG 142 Ca 0.07 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 2qkm h ARG 142 Cb 0.16 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2qkm h ARG 142 CO -0.15 0.69 -0.84 0.93 -1.51 0.00 0.00 179.97 179.09 2qkm h GLU 143 N 1.08 0.37 0.00 0.20 4.39 -0.56 -2.92 114.58 117.14 2qkm h GLU 143 Ca 0.35 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qkm h GLU 143 Cb 0.03 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2qkm h GLU 143 CO -0.13 1.02 -0.19 1.33 -1.16 0.00 0.00 179.01 179.88 2qkm n VAL 144 N -3.77 0.28 0.16 3.13 0.24 -0.36 -1.78 118.33 116.23 2qkm n VAL 144 Ca -0.05 -0.15 0.02 0.00 -2.04 0.00 0.00 64.34 62.12 2qkm n VAL 144 Cb 0.77 -0.35 0.23 0.00 -1.47 0.00 0.00 33.84 33.03 2qkm n VAL 144 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 2qkm h TYR 145 N 0.00 0.00 0.00 6.34 3.20 -0.81 -2.78 116.97 122.92 2qkm h TYR 145 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2qkm h TYR 145 Cb 0.63 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.90 2qkm h TYR 145 CO 0.00 0.51 0.00 -0.85 -1.64 0.00 0.00 178.16 176.18 2qkm n GLU 146 N -3.63 0.32 -0.07 1.82 0.28 -1.17 -3.61 120.64 114.57 2qkm n GLU 146 Ca -0.01 -0.67 -0.22 0.00 -0.16 0.00 0.00 57.16 56.10 2qkm n GLU 146 Cb 0.58 -0.86 -0.12 0.00 1.43 0.00 0.00 31.44 32.47 2qkm n GLU 146 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2qkm n GLU 147 N -0.13 0.65 -0.00 3.44 4.07 -0.73 -4.60 120.64 123.34 2qkm n GLU 147 Ca 0.00 0.38 0.01 0.00 -0.06 0.00 0.00 57.16 57.49 2qkm n GLU 147 Cb 0.16 -1.68 -0.02 0.00 -0.06 0.00 0.00 31.44 29.85 2qkm n GLU 147 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2qkm n THR 148 N -3.94 0.00 -1.82 6.31 -2.24 -1.22 -4.49 114.28 106.89 2qkm n THR 148 Ca -0.36 -0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 61.20 2qkm n THR 148 Cb 0.88 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 2qkm n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qkm n GLY 149 N 1.86 0.61 3.09 3.38 0.00 -1.17 -1.32 105.19 111.65 2qkm n GLY 149 Ca -0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 2qkm n GLY 149 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qkm s PHE 150 N -3.02 -0.17 -0.50 1.61 5.36 -1.06 -4.71 117.98 115.50 2qkm s PHE 150 Ca 0.01 0.39 -0.12 0.00 -0.96 0.00 0.00 56.93 56.26 2qkm s PHE 150 Cb -0.00 0.05 0.12 0.00 -0.34 0.00 0.00 43.02 42.85 2qkm s PHE 150 CO 0.04 -0.15 0.40 0.34 -1.46 0.00 0.00 175.22 174.39 2qkm s ASP 151 N -0.24 5.91 -0.06 6.13 3.68 -1.26 -3.15 116.67 127.68 2qkm s ASP 151 Ca -0.03 -1.82 0.21 0.00 2.13 0.00 0.00 52.55 53.03 2qkm s ASP 151 Cb -0.03 -2.10 0.70 0.00 -1.45 0.00 0.00 42.92 40.04 2qkm s ASP 151 CO 0.01 -0.75 1.60 0.00 0.13 0.00 0.00 175.17 176.15 2qkm n SER 153 N 1.42 0.00 -0.00 0.00 3.41 -1.26 -0.83 113.62 116.36 2qkm n SER 153 Ca 0.26 0.25 0.06 0.00 -0.26 0.00 0.00 58.87 59.18 2qkm n SER 153 Cb 0.77 -0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 2qkm n SER 153 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2qkm n SER 154 N -1.28 0.64 0.00 4.04 7.64 -1.26 -4.59 113.62 118.81 2qkm n SER 154 Ca 0.01 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.09 2qkm n SER 154 Cb 0.02 1.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 2qkm n SER 154 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qkm n ARG 155 N -1.32 3.30 -1.94 1.43 1.74 -0.43 -5.05 116.66 114.40 2qkm n ARG 155 Ca 0.02 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 2qkm n ARG 155 Cb 0.21 -0.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.94 2qkm n ARG 155 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2qkm s ILE 156 N -1.28 2.93 -0.42 0.55 -1.16 -0.01 -4.86 121.20 116.96 2qkm s ILE 156 Ca 0.00 0.49 -0.13 0.00 -0.51 0.00 0.00 60.65 60.50 2qkm s ILE 156 Cb 0.00 -3.31 0.05 0.00 0.61 0.00 0.00 42.46 39.80 2qkm s ILE 156 CO 0.00 0.01 0.29 0.21 -2.81 0.00 0.00 174.94 172.64 2qkm s ASN 157 N 2.03 5.92 0.24 4.50 3.84 -1.26 -4.97 114.94 125.24 2qkm s ASN 157 Ca 0.73 -1.15 0.16 0.00 0.21 0.00 0.00 52.86 52.81 2qkm s ASN 157 Cb -0.41 -2.09 0.87 0.00 -0.55 0.00 0.00 41.25 39.07 2qkm s ASN 157 CO 0.32 -0.50 1.48 -2.65 -2.79 0.00 0.00 177.10 172.96 2qkm n PRO 158 N 5.08 0.10 -0.25 0.43 -0.02 -1.26 -0.61 135.00 138.47 2qkm n PRO 158 Ca -0.11 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 62.03 2qkm n PRO 158 Cb 0.45 -1.85 0.18 0.00 -0.02 0.00 0.00 33.50 32.26 2qkm n PRO 158 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qkm n ASN 159 N -2.06 3.20 -3.83 2.55 3.02 -1.26 -4.88 115.26 112.00 2qkm n ASN 159 Ca -0.01 -2.24 -0.30 0.00 -0.03 0.00 0.00 54.58 52.01 2qkm n ASN 159 Cb 0.04 -0.31 -0.15 0.00 -0.61 0.00 0.00 39.78 38.74 2qkm n ASN 159 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2qkm s GLU 160 N -1.42 1.07 0.22 3.52 0.41 0.22 -5.10 118.70 117.62 2qkm s GLU 160 Ca 0.28 -1.05 -0.19 0.00 -0.41 0.00 0.00 54.97 53.61 2qkm s GLU 160 Cb 0.18 -2.35 0.03 0.00 -1.78 0.00 0.00 34.13 30.21 2qkm s GLU 160 CO 0.15 -0.81 0.59 -0.59 -0.49 0.00 0.00 175.26 174.11 2qkm s PHE 161 N 1.50 -0.13 -0.42 1.61 -0.12 -1.26 -1.96 117.98 117.19 2qkm s PHE 161 Ca 0.04 -0.23 0.10 0.00 -0.05 0.00 0.00 56.93 56.78 2qkm s PHE 161 Cb -0.18 0.49 0.41 0.00 -0.63 0.00 0.00 43.02 43.11 2qkm s PHE 161 CO -0.14 -1.02 1.00 0.44 -0.05 0.00 0.00 175.22 175.44 2qkm n ILE 162 N -0.39 1.80 -1.70 -4.49 -5.35 -0.51 -4.90 119.36 103.82 2qkm n ILE 162 Ca -0.08 -4.44 -0.43 0.00 -0.27 0.00 0.00 62.75 57.53 2qkm n ILE 162 Cb 0.62 -0.61 -0.01 0.00 -1.74 0.00 0.00 39.64 37.90 2qkm n ILE 162 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2qkm n ASP 163 N -0.24 2.94 -3.81 7.28 5.68 -1.26 -4.62 116.55 122.53 2qkm n ASP 163 Ca 0.27 1.19 -0.09 0.00 -0.50 0.00 0.00 54.79 55.66 2qkm n ASP 163 Cb 0.66 -1.49 -0.03 0.00 -1.14 0.00 0.00 41.12 39.12 2qkm n ASP 163 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qkm s MET 164 N -1.42 1.52 -0.32 0.11 0.23 0.26 -4.98 119.30 114.71 2qkm s MET 164 Ca 0.59 -0.95 -0.01 0.00 -1.03 0.00 0.00 55.69 54.28 2qkm s MET 164 Cb -0.57 0.54 0.06 0.00 -1.53 0.00 0.00 34.83 33.33 2qkm s MET 164 CO 0.58 -0.66 0.03 0.95 -2.03 0.00 0.00 175.02 173.89 2qkm s THR 165 N -3.91 2.97 -0.32 3.16 -4.23 -1.26 -0.42 115.64 111.62 2qkm s THR 165 Ca 0.12 -1.53 -0.19 0.00 -1.18 0.00 0.00 61.69 58.91 2qkm s THR 165 Cb -0.02 -2.78 -0.01 0.00 1.34 0.00 0.00 72.50 71.03 2qkm s THR 165 CO 0.02 -0.21 0.56 -0.63 -0.54 0.00 0.00 174.62 173.82 2qkm s ILE 166 N 1.22 4.99 -1.82 2.99 1.09 -0.09 -4.21 121.20 125.36 2qkm s ILE 166 Ca -0.03 0.60 0.00 0.00 -1.10 0.00 0.00 60.65 60.12 2qkm s ILE 166 Cb -0.20 -3.96 0.00 0.00 -1.06 0.00 0.00 42.46 37.23 2qkm s ILE 166 CO -0.02 -0.16 0.00 0.54 -0.10 0.00 0.00 174.94 175.20 2qkm n ARG 167 N 5.79 -1.67 -0.33 2.79 1.74 -1.26 -1.86 116.66 121.86 2qkm n ARG 167 Ca -0.03 1.03 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 2qkm n ARG 167 Cb 0.49 -5.67 0.00 0.00 -1.02 0.00 0.00 32.46 26.26 2qkm n ARG 167 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qkm n GLY 168 N -0.96 0.71 3.44 -0.13 0.00 -1.26 -5.05 105.19 101.94 2qkm n GLY 168 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2qkm n GLY 168 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qkm s GLN 169 N -0.67 3.58 -0.12 1.61 0.74 -0.78 -4.91 119.66 119.11 2qkm s GLN 169 Ca 0.00 -0.55 -0.29 0.00 0.05 0.00 0.00 55.36 54.57 2qkm s GLN 169 Cb 0.00 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 2qkm s GLN 169 CO 0.00 0.09 1.66 1.21 -0.55 0.00 0.00 175.29 177.70 2qkm s ASN 170 N 0.77 6.51 -0.18 6.67 2.47 -1.26 -0.91 114.94 129.01 2qkm s ASN 170 Ca -0.01 1.99 -0.02 0.00 0.42 0.00 0.00 52.86 55.24 2qkm s ASN 170 Cb -0.14 -2.53 -0.01 0.00 -1.45 0.00 0.00 41.25 37.11 2qkm s ASN 170 CO 0.02 -1.09 -0.09 -0.69 -3.72 0.00 0.00 177.10 171.53 2qkm s VAL 171 N 4.64 3.13 -0.16 -5.21 1.01 0.44 -0.87 120.40 123.38 2qkm s VAL 171 Ca 0.74 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 2qkm s VAL 171 Cb -0.30 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 2qkm s VAL 171 CO 0.29 0.48 -0.14 -0.60 0.00 0.00 0.00 175.10 175.13 2qkm s ARG 172 N 0.96 3.24 -0.30 2.72 3.52 -0.72 -0.57 118.95 127.79 2qkm s ARG 172 Ca -0.01 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 54.89 2qkm s ARG 172 Cb -0.15 -2.67 0.08 0.00 -1.56 0.00 0.00 34.95 30.65 2qkm s ARG 172 CO -0.01 -0.01 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.96 2qkm s LEU 173 N 0.89 4.07 0.19 -0.88 1.43 -1.26 -1.46 118.68 121.65 2qkm s LEU 173 Ca -0.04 -1.81 -0.31 0.00 -1.03 0.00 0.00 54.13 50.94 2qkm s LEU 173 Cb -0.15 -1.54 -0.10 0.00 0.03 0.00 0.00 46.19 44.43 2qkm s LEU 173 CO -0.01 -0.31 1.52 -0.31 0.23 0.00 0.00 176.35 177.47 2qkm s TYR 174 N 1.03 3.05 -0.15 0.29 2.02 -0.93 -1.43 117.35 121.23 2qkm s TYR 174 Ca 0.03 0.77 -0.15 0.00 -0.37 0.00 0.00 57.07 57.35 2qkm s TYR 174 Cb -0.19 -3.89 -0.05 0.00 -0.40 0.00 0.00 41.96 37.44 2qkm s TYR 174 CO -0.08 -3.13 0.34 0.42 -1.57 0.00 0.00 175.55 171.53 2qkm s ILE 175 N 0.75 5.28 -0.19 2.71 1.01 -0.83 0.28 121.20 130.20 2qkm s ILE 175 Ca 0.66 0.65 0.01 0.00 0.00 0.00 0.00 60.65 61.97 2qkm s ILE 175 Cb -0.43 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.40 2qkm s ILE 175 CO 0.35 0.37 -0.10 -0.63 0.00 0.00 0.00 174.94 174.93 2qkm s ILE 176 N 0.50 1.62 0.52 2.92 -1.09 0.49 -4.58 121.20 121.58 2qkm s ILE 176 Ca 0.19 -0.97 -0.03 0.00 -2.23 0.00 0.00 60.65 57.61 2qkm s ILE 176 Cb -0.13 -1.69 -0.00 0.00 -1.58 0.00 0.00 42.46 39.06 2qkm s ILE 176 CO 0.05 0.19 0.79 -2.16 -1.23 0.00 0.00 174.94 172.59 2qkm s PRO 177 N 1.41 3.05 -0.79 2.79 0.04 -1.26 0.13 135.00 140.38 2qkm s PRO 177 Ca -0.01 -0.18 -0.01 0.00 0.04 0.00 0.00 61.00 60.85 2qkm s PRO 177 Cb -0.16 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 31.98 2qkm s PRO 177 CO -0.08 -0.46 0.67 0.41 0.04 0.00 0.00 177.00 177.57 2qkm n GLY 178 N -2.34 -1.26 3.22 0.56 0.00 0.48 -4.72 105.19 101.13 2qkm n GLY 178 Ca 0.03 0.53 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 2qkm n GLY 178 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qkm n ILE 179 N -2.20 4.03 0.00 -0.61 2.08 0.10 -4.85 119.36 117.91 2qkm n ILE 179 Ca -0.13 -5.32 0.00 0.00 0.56 0.00 0.00 62.75 57.85 2qkm n ILE 179 Cb 0.58 -2.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.00 2qkm n ILE 179 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2qkm n SER 180 N 2.42 0.00 0.00 4.38 2.88 -1.26 -4.38 113.62 117.66 2qkm n SER 180 Ca 0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2qkm n SER 180 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2qkm n SER 180 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2qkm n LEU 181 N 0.00 0.00 -2.74 2.46 0.00 -1.26 -4.74 117.00 110.72 2qkm n LEU 181 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.97 2qkm n LEU 181 Cb 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 43.42 43.49 2qkm n LEU 181 CO 0.00 -0.00 0.17 -0.90 0.00 0.00 0.00 177.39 176.66 2qkm n ASP 182 N 0.00 0.41 -4.77 1.96 5.75 -1.26 -5.11 116.55 113.53 2qkm n ASP 182 Ca 0.00 -2.30 -0.38 0.00 -0.01 0.00 0.00 54.79 52.11 2qkm n ASP 182 Cb 0.00 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.00 2qkm n ASP 182 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2qkm s THR 183 N -2.24 4.02 -0.71 2.12 2.01 -1.26 -4.99 115.64 114.58 2qkm s THR 183 Ca 0.22 1.75 -0.27 0.00 0.31 0.00 0.00 61.69 63.71 2qkm s THR 183 Cb 0.39 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.92 2qkm s THR 183 CO -0.05 0.21 1.37 0.00 -0.69 0.00 0.00 174.62 175.46 2qkm s ARG 184 N -1.90 3.12 -0.24 4.92 1.70 -1.26 -4.99 118.95 120.30 2qkm s ARG 184 Ca 0.49 -0.09 -0.06 0.00 -0.47 0.00 0.00 55.73 55.60 2qkm s ARG 184 Cb -0.22 -4.20 -0.02 0.00 -0.57 0.00 0.00 34.95 29.94 2qkm s ARG 184 CO 0.28 -2.22 0.02 -0.06 -1.08 0.00 0.00 175.30 172.24 2qkm s PHE 185 N 6.21 3.03 0.00 5.89 0.40 -1.26 -4.90 117.98 127.35 2qkm s PHE 185 Ca 0.40 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 2qkm s PHE 185 Cb -0.09 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.26 2qkm s PHE 185 CO 0.16 -0.45 0.00 0.39 0.70 0.00 0.00 175.22 176.03 2qkm n GLU 186 N 4.87 0.00 -1.33 0.44 4.71 -0.43 -4.75 120.64 124.15 2qkm n GLU 186 Ca -0.17 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 56.86 2qkm n GLU 186 Cb 0.51 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.89 2qkm n GLU 186 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2qkm n SER 187 N 0.00 -3.35 0.00 1.62 2.88 -1.26 -3.76 113.62 109.75 2qkm n SER 187 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2qkm n SER 187 Cb 0.00 -3.09 0.00 0.00 -0.75 0.00 0.00 64.21 60.37 2qkm n SER 187 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2qkm n ARG 188 N -1.70 0.00 0.00 -1.46 3.00 -1.26 -4.71 116.66 110.52 2qkm n ARG 188 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.73 2qkm n ARG 188 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.87 2qkm n ARG 188 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2qkm n ILE 196 N 0.00 0.00 -1.26 5.15 -5.35 -1.26 -5.08 119.36 111.56 2qkm n ILE 196 Ca 0.00 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.58 2qkm n ILE 196 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.85 2qkm n ILE 196 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2qkm n GLU 197 N 0.00 -3.06 -1.42 6.28 1.02 -1.26 -4.73 120.64 117.47 2qkm n GLU 197 Ca 0.00 2.46 -0.30 0.00 -0.02 0.00 0.00 57.16 59.30 2qkm n GLU 197 Cb 0.00 -3.34 0.11 0.00 -0.02 0.00 0.00 31.44 28.19 2qkm n GLU 197 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2qkm s TRP 198 N -4.49 2.64 0.05 -0.32 0.52 -1.26 -3.56 118.94 112.51 2qkm s TRP 198 Ca 0.00 1.20 -0.01 0.00 0.02 0.00 0.00 56.10 57.31 2qkm s TRP 198 Cb 0.00 -3.14 -0.04 0.00 -1.15 0.00 0.00 33.47 29.15 2qkm s TRP 198 CO 0.00 -2.00 -0.03 -1.01 0.02 0.00 0.00 176.95 173.93 2qkm s HIS 199 N -3.07 0.49 0.25 -1.98 3.76 -1.00 -4.90 115.29 108.84 2qkm s HIS 199 Ca 0.62 -0.93 -0.14 0.00 -0.15 0.00 0.00 55.06 54.46 2qkm s HIS 199 Cb -0.16 -0.35 -0.08 0.00 1.11 0.00 0.00 32.58 33.10 2qkm s HIS 199 CO 0.55 -0.32 0.64 -0.80 -0.85 0.00 0.00 174.74 173.97 2qkm s ASN 200 N -2.57 6.78 0.17 1.40 0.01 -1.26 -0.54 114.94 118.94 2qkm s ASN 200 Ca 0.02 1.15 -0.09 0.00 -0.71 0.00 0.00 52.86 53.23 2qkm s ASN 200 Cb 0.03 -2.32 0.05 0.00 0.41 0.00 0.00 41.25 39.43 2qkm s ASN 200 CO -0.07 -0.07 1.58 -0.07 -1.51 0.00 0.00 177.10 176.96 2qkm h LEU 201 N 2.77 0.99 -0.67 0.60 4.07 -1.76 -2.60 115.31 118.72 2qkm h LEU 201 Ca -0.48 -0.36 -0.11 0.00 0.08 0.00 0.00 57.88 57.02 2qkm h LEU 201 Cb 1.18 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 2qkm h LEU 201 CO 0.67 1.14 -0.51 -0.03 -1.08 0.00 0.00 178.44 178.63 2qkm h MET 202 N 0.86 0.00 -0.58 1.13 4.05 -1.85 -3.17 114.93 115.37 2qkm h MET 202 Ca 0.12 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.49 2qkm h MET 202 Cb 0.74 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 2qkm h MET 202 CO 0.06 0.51 0.16 0.22 0.23 0.00 0.00 176.91 178.09 2qkm h ASP 203 N 0.00 0.86 -3.57 1.39 3.58 -1.85 -3.45 116.42 113.38 2qkm h ASP 203 Ca -0.01 -0.22 -0.53 0.00 0.42 0.00 0.00 57.03 56.70 2qkm h ASP 203 Cb 1.10 -0.23 0.06 0.00 1.72 0.00 0.00 39.33 41.98 2qkm h ASP 203 CO 0.07 0.86 0.71 -0.76 -2.88 0.00 0.00 179.24 177.23 2qkm s LEU 204 N -9.61 4.40 0.01 2.28 1.43 -1.00 -4.88 118.68 111.30 2qkm s LEU 204 Ca -0.13 2.66 -0.01 0.00 -1.03 0.00 0.00 54.13 55.63 2qkm s LEU 204 Cb 0.13 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2qkm s LEU 204 CO 0.81 -0.64 0.05 -2.65 0.23 0.00 0.00 176.35 174.16 2qkm n PRO 205 N 1.78 -0.01 0.00 1.29 -0.02 -1.26 -5.00 135.00 131.78 2qkm n PRO 205 Ca 0.04 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2qkm n PRO 205 Cb 0.41 -0.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.81 2qkm n PRO 205 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2qkm n THR 206 N -4.05 0.00 -0.08 3.45 -1.04 -1.26 -5.13 114.28 106.17 2qkm n THR 206 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2qkm n THR 206 Cb 0.01 -0.68 -0.15 0.00 -1.82 0.00 0.00 70.33 67.69 2qkm n THR 206 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2qkm n TYR 220 N -2.24 0.00 1.65 -1.42 4.01 -1.26 -4.73 117.16 113.16 2qkm n TYR 220 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.81 2qkm n TYR 220 Cb 0.48 -0.89 0.44 0.00 -0.31 0.00 0.00 39.34 39.07 2qkm n TYR 220 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2qkm n MET 221 N -2.65 0.82 0.00 -0.72 1.56 -1.26 -3.72 117.12 111.16 2qkm n MET 221 Ca -0.28 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.15 2qkm n MET 221 Cb 1.05 -1.28 0.00 0.00 2.15 0.00 0.00 33.22 35.14 2qkm n MET 221 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2qkm n VAL 222 N -0.78 0.00 -0.22 1.12 0.31 -1.26 -4.66 118.33 112.84 2qkm n VAL 222 Ca 0.11 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.46 2qkm n VAL 222 Cb 0.05 -0.48 0.11 0.00 -0.91 0.00 0.00 33.84 32.62 2qkm n VAL 222 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2qkm h ILE 223 N 0.00 0.45 -0.20 2.52 5.03 -2.02 -1.95 117.51 121.35 2qkm h ILE 223 Ca 0.00 -0.04 0.06 0.00 -0.12 0.00 0.00 64.86 64.76 2qkm h ILE 223 Cb 0.83 0.34 -0.01 0.00 -3.03 0.00 0.00 36.82 34.95 2qkm h ILE 223 CO 0.00 0.02 0.29 -0.65 -0.68 0.00 0.00 178.15 177.13 2qkm h PRO 224 N 0.11 0.00 0.00 2.37 0.11 -1.89 0.26 132.00 132.95 2qkm h PRO 224 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 2qkm h PRO 224 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2qkm h PRO 224 CO -0.56 0.00 -0.58 0.74 -0.21 0.00 0.00 178.00 177.39 2qkm h PHE 225 N 0.00 0.00 -0.20 0.65 -1.00 -1.71 -3.41 116.94 111.27 2qkm h PHE 225 Ca 0.10 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.76 2qkm h PHE 225 Cb 0.68 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.23 2qkm h PHE 225 CO 0.00 0.00 -0.34 -0.07 -1.61 0.00 0.00 178.31 176.29 2qkm h LEU 226 N 0.00 0.65 -0.03 1.54 3.38 -0.97 -0.15 115.31 119.74 2qkm h LEU 226 Ca 0.00 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.45 2qkm h LEU 226 Cb 0.87 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2qkm h LEU 226 CO 0.00 1.06 -0.04 0.00 0.09 0.00 0.00 178.44 179.55 2qkm h ALA 227 N 0.61 -0.01 -0.13 1.53 0.00 -1.79 0.49 119.26 119.96 2qkm h ALA 227 Ca 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2qkm h ALA 227 Cb 0.93 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2qkm h ALA 227 CO 0.08 -0.53 -0.07 -1.35 0.00 0.00 0.00 179.25 177.38 2qkm h PRO 228 N -0.06 0.20 0.10 0.00 0.11 -1.80 -1.45 132.00 129.10 2qkm h PRO 228 Ca 0.03 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 2qkm h PRO 228 Cb 0.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.17 2qkm h PRO 228 CO -0.06 0.28 -0.05 1.25 -0.21 0.00 0.00 178.00 179.21 2qkm h LEU 229 N 0.19 -0.11 -1.05 2.35 5.85 -0.21 0.13 115.31 122.47 2qkm h LEU 229 Ca 0.04 -0.32 0.11 0.00 0.84 0.00 0.00 57.88 58.55 2qkm h LEU 229 Cb 0.25 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 2qkm h LEU 229 CO 0.01 0.28 0.63 0.11 -0.34 0.00 0.00 178.44 179.13 2qkm h LYS 230 N -0.52 0.96 0.00 1.25 1.57 -0.05 0.09 116.57 119.87 2qkm h LYS 230 Ca -0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2qkm h LYS 230 Cb 0.43 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2qkm h LYS 230 CO 0.02 0.64 -0.16 -0.22 -0.57 0.00 0.00 179.45 179.16 2qkm h LYS 231 N 0.99 0.00 0.00 3.15 3.64 -0.95 -2.61 116.57 120.79 2qkm h LYS 231 Ca 0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.85 2qkm h LYS 231 Cb 0.45 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2qkm h LYS 231 CO -0.24 0.16 -0.03 2.35 -2.27 0.00 0.00 179.45 179.42 2qkm h TRP 232 N 0.00 0.00 0.00 1.91 7.01 0.13 -3.50 115.95 121.50 2qkm h TRP 232 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2qkm h TRP 232 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 2qkm h TRP 232 CO 0.00 0.03 0.00 -0.89 -2.79 0.00 0.00 178.44 174.79