#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qoz n ILE 2 N 0.00 1.50 -2.72 3.17 -0.00 -1.26 -4.86 119.36 115.19 2qoz n ILE 2 Ca 0.00 -3.09 -0.07 0.00 -0.00 0.00 0.00 62.75 59.59 2qoz n ILE 2 Cb 0.00 0.66 0.08 0.00 -0.00 0.00 0.00 39.64 40.37 2qoz n ILE 2 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 2qoz n ARG 3 N -0.55 0.72 -1.50 6.28 0.00 -1.26 -5.14 116.66 115.20 2qoz n ARG 3 Ca 0.16 -1.56 -0.40 0.00 -0.00 0.00 0.00 57.85 56.05 2qoz n ARG 3 Cb 0.87 -0.99 0.02 0.00 -0.00 0.00 0.00 32.46 32.35 2qoz n ARG 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2qoz n GLU 4 N 1.00 0.73 0.18 2.89 0.00 -1.26 -4.45 120.64 119.73 2qoz n GLU 4 Ca 0.05 0.27 0.08 0.00 0.00 0.00 0.00 57.16 57.56 2qoz n GLU 4 Cb 0.68 -1.71 0.42 0.00 0.00 0.00 0.00 31.44 30.83 2qoz n GLU 4 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2qoz h GLU 5 N 0.76 0.00 0.00 5.31 4.11 -2.01 0.83 114.58 123.57 2qoz h GLU 5 Ca -0.43 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.98 2qoz h GLU 5 Cb 1.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 2qoz h GLU 5 CO 0.51 0.00 -0.07 -0.09 0.07 0.00 0.00 179.01 179.43 2qoz h ARG 6 N 0.00 0.00 0.00 1.06 1.12 -2.06 -2.72 114.38 111.78 2qoz h ARG 6 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2qoz h ARG 6 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.49 2qoz h ARG 6 CO 0.00 0.07 -1.39 -0.11 -3.11 0.00 0.00 179.97 175.44 2qoz n LEU 7 N -3.24 0.06 -4.53 3.80 -0.00 0.28 -4.90 117.00 108.45 2qoz n LEU 7 Ca -0.00 -0.06 -0.41 0.00 -0.00 0.00 0.00 56.01 55.54 2qoz n LEU 7 Cb 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.69 2qoz n LEU 7 CO 0.28 0.01 1.11 -0.76 -0.00 0.00 0.00 177.39 178.04 2qoz s LEU 8 N -3.62 3.41 0.00 -1.96 1.43 -0.64 -4.22 118.68 113.08 2qoz s LEU 8 Ca -0.03 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 2qoz s LEU 8 Cb 0.07 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.76 2qoz s LEU 8 CO 0.45 -1.75 0.00 2.29 0.23 0.00 0.00 176.35 177.58 2qoz n LYS 9 N 9.04 0.00 -0.34 1.70 0.00 -1.26 -4.84 118.16 122.46 2qoz n LYS 9 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.37 2qoz n LYS 9 Cb 0.48 0.00 0.08 0.00 -0.00 0.00 0.00 35.03 35.60 2qoz n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qoz n VAL 10 N 0.00 -0.43 -1.47 0.58 0.31 -1.26 -3.69 118.33 112.37 2qoz n VAL 10 Ca 0.00 2.12 -0.11 0.00 -0.01 0.00 0.00 64.34 66.34 2qoz n VAL 10 Cb 0.19 -2.87 -0.10 0.00 -0.91 0.00 0.00 33.84 30.16 2qoz n VAL 10 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qoz n LEU 11 N -5.42 0.66 0.27 7.52 7.99 -1.26 -4.05 117.00 122.72 2qoz n LEU 11 Ca 0.12 -2.21 0.17 0.00 -0.01 0.00 0.00 56.01 54.07 2qoz n LEU 11 Cb 0.41 -1.50 0.65 0.00 -0.11 0.00 0.00 43.42 42.87 2qoz n LEU 11 CO -0.12 -3.23 0.98 0.03 -1.51 0.00 0.00 177.39 173.54 2qoz h ARG 12 N 11.21 0.00 -1.16 3.23 3.08 -1.61 -3.46 114.38 125.66 2qoz h ARG 12 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.22 2qoz h ARG 12 Cb 1.00 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.74 2qoz h ARG 12 CO 1.01 0.00 0.81 0.00 -1.07 0.00 0.00 179.97 180.72 2qoz s ALA 13 N -3.63 -2.18 -0.25 0.04 0.00 -0.92 -5.05 121.76 109.78 2qoz s ALA 13 Ca 0.02 1.72 -0.26 0.00 0.00 0.00 0.00 51.96 53.43 2qoz s ALA 13 Cb 0.09 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2qoz s ALA 13 CO 0.55 -0.13 0.91 -1.25 0.00 0.00 0.00 175.76 175.84 2qoz s PRO 14 N -0.00 4.18 0.00 0.00 0.04 -1.26 0.65 135.00 138.60 2qoz s PRO 14 Ca 0.07 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2qoz s PRO 14 Cb -0.05 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.84 2qoz s PRO 14 CO -0.14 -0.59 0.28 1.58 0.04 0.00 0.00 177.00 178.17 2qoz n HIS 15 N 6.18 0.00 -3.08 0.56 -0.00 -1.25 -4.77 115.22 112.86 2qoz n HIS 15 Ca 0.08 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.13 2qoz n HIS 15 Cb 0.47 -0.28 0.01 0.00 -0.12 0.00 0.00 29.99 30.08 2qoz n HIS 15 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2qoz n VAL 16 N -1.33 -2.42 -3.94 3.57 0.31 -1.25 -4.99 118.33 108.28 2qoz n VAL 16 Ca 0.00 0.32 -0.10 0.00 -0.01 0.00 0.00 64.34 64.55 2qoz n VAL 16 Cb 0.00 -2.91 -0.10 0.00 -0.91 0.00 0.00 33.84 29.92 2qoz n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2qoz s SER 17 N -1.06 0.18 0.26 4.52 0.01 -1.26 -4.89 113.70 111.46 2qoz s SER 17 Ca 0.13 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2qoz s SER 17 Cb -0.01 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2qoz s SER 17 CO 0.28 -0.42 0.00 -0.62 0.41 0.00 0.00 173.24 172.90 2qoz n GLU 18 N 1.15 -1.83 0.00 12.44 1.02 -1.26 -3.41 120.64 128.75 2qoz n GLU 18 Ca -0.21 1.33 0.00 0.00 -0.02 0.00 0.00 57.16 58.25 2qoz n GLU 18 Cb 0.57 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 2qoz n GLU 18 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2qoz n LYS 19 N -3.19 0.00 0.00 3.49 4.81 -1.26 -3.63 118.16 118.38 2qoz n LYS 19 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2qoz n LYS 19 Cb 0.61 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.17 2qoz n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qoz n ALA 20 N 1.78 0.96 -0.35 3.14 0.00 -1.24 -4.46 120.51 120.34 2qoz n ALA 20 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2qoz n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qoz n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qoz h SER 21 N 0.00 -1.54 -0.61 0.00 4.64 -1.62 0.80 113.55 115.22 2qoz h SER 21 Ca 0.00 0.30 0.06 0.00 -0.47 0.00 0.00 61.79 61.68 2qoz h SER 21 Cb 0.00 0.76 -0.06 0.00 -0.31 0.00 0.00 62.40 62.80 2qoz h SER 21 CO 0.00 -0.29 0.30 0.71 -0.87 0.00 0.00 176.83 176.69 2qoz h THR 22 N -0.05 0.91 -0.90 2.95 1.35 -1.79 1.81 112.91 117.20 2qoz h THR 22 Ca 0.28 -0.19 0.07 0.00 -0.55 0.00 0.00 66.41 66.02 2qoz h THR 22 Cb 0.56 0.30 -0.06 0.00 -1.73 0.00 0.00 68.15 67.22 2qoz h THR 22 CO -0.91 0.10 0.56 0.00 -0.25 0.00 0.00 175.52 175.02 2qoz h ALA 23 N 1.34 1.24 0.12 6.62 0.00 0.04 1.23 119.26 129.87 2qoz h ALA 23 Ca 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2qoz h ALA 23 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qoz h ALA 23 CO -0.21 0.30 -0.06 0.52 0.00 0.00 0.00 179.25 179.81 2qoz h MET 24 N 1.01 -0.16 -0.67 0.00 2.86 0.26 -3.13 114.93 115.09 2qoz h MET 24 Ca 0.40 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 58.17 2qoz h MET 24 Cb 0.20 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.81 2qoz h MET 24 CO -0.18 0.20 0.23 1.49 1.06 0.00 0.00 176.91 179.71 2qoz h GLU 25 N -0.55 0.37 -1.28 1.72 4.57 0.37 1.94 114.58 121.72 2qoz h GLU 25 Ca -0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2qoz h GLU 25 Cb 0.44 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2qoz h GLU 25 CO 0.03 0.25 0.00 1.63 -1.18 0.00 0.00 179.01 179.73 2qoz n LYS 26 N -5.04 0.65 0.00 1.92 4.76 0.41 -1.97 118.16 118.90 2qoz n LYS 26 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2qoz n LYS 26 Cb 0.35 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 2qoz n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2qoz n SER 27 N 0.62 0.00 0.00 4.39 2.88 0.15 -4.99 113.62 116.67 2qoz n SER 27 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2qoz n SER 27 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2qoz n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qoz n ASN 28 N -1.15 0.00 -0.99 -3.46 6.94 0.61 -5.09 115.26 112.11 2qoz n ASN 28 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.67 2qoz n ASN 28 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 2qoz n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qoz n THR 29 N 9.00 0.00 -3.30 5.53 -2.24 -1.26 -2.08 114.28 119.93 2qoz n THR 29 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2qoz n THR 29 Cb 0.00 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 67.92 2qoz n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qoz s ILE 30 N -1.40 -0.36 0.32 2.28 2.07 -1.26 -4.46 121.20 118.39 2qoz s ILE 30 Ca 0.00 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 2qoz s ILE 30 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 2qoz s ILE 30 CO 0.00 0.00 0.49 0.68 -1.91 0.00 0.00 174.94 174.20 2qoz s VAL 31 N 2.43 4.95 0.00 4.00 -7.23 -1.26 -0.30 120.40 122.99 2qoz s VAL 31 Ca -0.01 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2qoz s VAL 31 Cb -0.05 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.10 2qoz s VAL 31 CO -0.16 -0.43 0.00 0.00 -0.31 0.00 0.00 175.10 174.20 2qoz n LEU 32 N -1.68 0.00 -4.67 1.32 -0.00 -1.26 -3.74 117.00 106.96 2qoz n LEU 32 Ca -0.05 0.00 -0.48 0.00 -0.00 0.00 0.00 56.01 55.48 2qoz n LEU 32 Cb 0.57 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.94 2qoz n LEU 32 CO 0.47 0.00 1.32 1.17 -0.00 0.00 0.00 177.39 180.35 2qoz n LYS 33 N -0.08 2.09 -2.97 1.47 4.81 0.21 -2.65 118.16 121.04 2qoz n LYS 33 Ca 0.00 0.76 -0.21 0.00 -0.87 0.00 0.00 58.31 57.99 2qoz n LYS 33 Cb 0.00 -2.56 -0.02 0.00 0.02 0.00 0.00 35.03 32.47 2qoz n LYS 33 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2qoz n VAL 34 N 4.22 1.44 -3.12 3.15 0.24 -1.16 -2.17 118.33 120.93 2qoz n VAL 34 Ca 0.20 -4.84 0.00 0.00 -2.04 0.00 0.00 64.34 57.66 2qoz n VAL 34 Cb 0.28 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 2qoz n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qoz n ALA 35 N -0.03 0.00 0.00 2.33 0.00 -1.26 -4.36 120.51 117.19 2qoz n ALA 35 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2qoz n ALA 35 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2qoz n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qoz n LYS 36 N 13.94 0.00 0.15 0.00 0.00 -1.26 -0.14 118.16 130.85 2qoz n LYS 36 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 2qoz n LYS 36 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 35.03 34.55 2qoz n LYS 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2qoz h ASP 37 N 0.00 -0.34 0.00 3.14 3.45 -2.00 -3.47 116.42 117.20 2qoz h ASP 37 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2qoz h ASP 37 Cb 0.00 0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 2qoz h ASP 37 CO 0.00 -0.15 0.00 0.00 -1.57 0.00 0.00 179.24 177.52 2qoz n ALA 38 N -2.35 0.00 0.00 3.45 0.00 -1.26 -4.86 120.51 115.49 2qoz n ALA 38 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2qoz n ALA 38 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2qoz n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qoz n THR 39 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.95 114.28 113.73 2qoz n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qoz n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qoz n THR 39 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2qoz n LYS 40 N 0.00 0.00 -0.05 1.09 4.81 -1.26 -4.43 118.16 118.31 2qoz n LYS 40 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 2qoz n LYS 40 Cb 0.00 -0.32 -0.07 0.00 0.02 0.00 0.00 35.03 34.66 2qoz n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qoz h ALA 41 N 0.00 0.25 0.00 3.14 0.00 -1.94 -2.72 119.26 117.99 2qoz h ALA 41 Ca 0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 2qoz h ALA 41 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2qoz h ALA 41 CO 0.00 0.28 -1.15 1.05 0.00 0.00 0.00 179.25 179.43 2qoz h GLU 42 N 0.12 0.00 0.00 0.00 4.11 -1.93 -3.09 114.58 113.79 2qoz h GLU 42 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2qoz h GLU 42 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2qoz h GLU 42 CO 0.07 0.64 0.00 0.97 0.07 0.00 0.00 179.01 180.76 2qoz h ILE 43 N 0.00 0.00 0.14 -1.06 2.10 -1.87 0.45 117.51 117.27 2qoz h ILE 43 Ca -0.11 -0.07 -0.01 0.00 1.08 0.00 0.00 64.86 65.75 2qoz h ILE 43 Cb 1.72 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 38.41 2qoz h ILE 43 CO 0.09 0.00 -0.07 0.50 -1.08 0.00 0.00 178.15 177.59 2qoz h LYS 44 N 0.00 -0.18 -0.13 2.19 3.64 -1.40 -3.03 116.57 117.66 2qoz h LYS 44 Ca 0.00 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2qoz h LYS 44 Cb 0.08 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2qoz h LYS 44 CO 0.00 -0.12 0.18 0.00 -2.27 0.00 0.00 179.45 177.24 2qoz h ALA 45 N -1.10 1.63 0.10 5.00 0.00 -1.39 -0.35 119.26 123.15 2qoz h ALA 45 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qoz h ALA 45 Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2qoz h ALA 45 CO 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 179.25 178.99 2qoz h ALA 46 N 1.76 -0.13 0.00 0.00 0.00 -0.15 0.85 119.26 121.59 2qoz h ALA 46 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qoz h ALA 46 Cb 0.42 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2qoz h ALA 46 CO -0.00 -0.53 0.00 0.28 0.00 0.00 0.00 179.25 179.00 2qoz n VAL 47 N -5.10 0.74 -0.00 0.00 0.31 -0.23 -2.32 118.33 111.73 2qoz n VAL 47 Ca -0.08 0.12 -0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2qoz n VAL 47 Cb 0.12 -0.94 -0.00 0.00 -0.91 0.00 0.00 33.84 32.10 2qoz n VAL 47 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qoz h GLN 48 N 0.00 -0.01 -0.01 5.55 1.08 -0.32 -3.05 115.11 118.36 2qoz h GLN 48 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qoz h GLN 48 Cb 0.42 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2qoz h GLN 48 CO 0.00 -0.01 -0.07 -0.22 -0.95 0.00 0.00 178.83 177.58 2qoz h LYS 49 N -0.08 -0.08 -7.46 1.46 3.11 -0.94 -2.69 116.57 109.89 2qoz h LYS 49 Ca -0.00 0.01 -0.48 0.00 -2.81 0.00 0.00 60.65 57.36 2qoz h LYS 49 Cb 0.01 0.02 0.11 0.00 -1.00 0.00 0.00 32.23 31.36 2qoz h LYS 49 CO 0.00 -0.05 0.35 -0.51 -2.81 0.00 0.00 179.45 176.43 2qoz s LEU 50 N -5.77 2.50 0.00 5.20 2.01 -0.98 -3.58 118.68 118.07 2qoz s LEU 50 Ca -0.02 1.16 0.00 0.00 0.01 0.00 0.00 54.13 55.28 2qoz s LEU 50 Cb 0.01 -3.72 0.00 0.00 0.01 0.00 0.00 46.19 42.49 2qoz s LEU 50 CO 0.08 -2.00 0.00 0.49 1.01 0.00 0.00 176.35 175.93 2qoz n PHE 51 N -3.43 0.00 -3.41 0.29 3.01 -1.26 -4.29 117.46 108.37 2qoz n PHE 51 Ca 0.07 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.33 2qoz n PHE 51 Cb 0.57 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.11 2qoz n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2qoz n GLU 52 N 0.00 -2.31 -4.63 -1.08 1.02 -1.01 -5.02 120.64 107.60 2qoz n GLU 52 Ca 0.00 0.74 -0.29 0.00 -0.02 0.00 0.00 57.16 57.59 2qoz n GLU 52 Cb 0.00 -5.31 -0.09 0.00 -0.02 0.00 0.00 31.44 26.01 2qoz n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qoz s VAL 53 N -3.42 1.35 -0.01 2.62 1.01 -1.16 -5.05 120.40 115.73 2qoz s VAL 53 Ca 0.42 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.35 2qoz s VAL 53 Cb -0.09 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 2qoz s VAL 53 CO 0.78 0.00 0.58 -0.33 0.00 0.00 0.00 175.10 176.13 2qoz h GLU 54 N 1.66 -0.17 -4.59 2.72 4.39 -1.89 -3.42 114.58 113.28 2qoz h GLU 54 Ca -0.42 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.30 2qoz h GLU 54 Cb 1.27 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.87 2qoz h GLU 54 CO 0.73 -0.11 -1.26 0.28 -1.16 0.00 0.00 179.01 177.48 2qoz n VAL 55 N -2.84-11.44 -0.08 3.13 0.31 -1.26 -4.74 118.33 101.42 2qoz n VAL 55 Ca -0.02 2.42 -0.21 0.00 -0.01 0.00 0.00 64.34 66.52 2qoz n VAL 55 Cb 0.07 -6.00 -0.12 0.00 -0.91 0.00 0.00 33.84 26.88 2qoz n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qoz h GLU 56 N 3.46 0.05 0.00 5.55 4.81 -1.48 -3.42 114.58 123.54 2qoz h GLU 56 Ca -0.40 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2qoz h GLU 56 Cb 0.90 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2qoz h GLU 56 CO 0.01 1.04 0.00 1.55 -0.73 0.00 0.00 179.01 180.87 2qoz n VAL 57 N -4.34 0.00 0.00 0.32 3.14 -1.21 -5.01 118.33 111.22 2qoz n VAL 57 Ca -0.28 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 2qoz n VAL 57 Cb 0.70 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.48 2qoz n VAL 57 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2qoz n VAL 58 N 0.00 0.00 -3.79 1.55 3.14 -1.15 -4.43 118.33 113.65 2qoz n VAL 58 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 2qoz n VAL 58 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 2qoz n VAL 58 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2qoz s ASN 59 N 0.00 5.00 0.35 6.55 0.01 0.19 -4.95 114.94 122.09 2qoz s ASN 59 Ca 0.00 -0.65 0.05 0.00 -0.71 0.00 0.00 52.86 51.55 2qoz s ASN 59 Cb 0.00 -1.86 -0.01 0.00 0.41 0.00 0.00 41.25 39.79 2qoz s ASN 59 CO 0.00 -0.16 0.50 0.42 -1.51 0.00 0.00 177.10 176.35 2qoz s THR 60 N 1.49 4.18 -0.28 1.60 -4.23 -1.24 -3.90 115.64 113.27 2qoz s THR 60 Ca 0.03 -0.89 -0.22 0.00 -1.18 0.00 0.00 61.69 59.42 2qoz s THR 60 Cb -0.17 -3.47 0.11 0.00 1.34 0.00 0.00 72.50 70.31 2qoz s THR 60 CO 0.02 -0.21 0.91 -1.48 -0.54 0.00 0.00 174.62 173.32 2qoz s LEU 61 N -4.23 -0.59 0.59 4.79 0.05 -1.24 -4.91 118.68 113.15 2qoz s LEU 61 Ca 0.45 1.07 -0.09 0.00 0.05 0.00 0.00 54.13 55.60 2qoz s LEU 61 Cb -0.10 2.05 -0.03 0.00 -2.05 0.00 0.00 46.19 46.06 2qoz s LEU 61 CO 0.32 -0.18 0.97 -0.69 -0.55 0.00 0.00 176.35 176.22 2qoz s VAL 62 N 0.62 4.60 -0.11 1.48 1.01 -1.26 -0.44 120.40 126.31 2qoz s VAL 62 Ca -0.01 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.63 2qoz s VAL 62 Cb -0.05 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2qoz s VAL 62 CO -0.08 -1.00 -0.17 -0.69 0.00 0.00 0.00 175.10 173.17 2qoz s VAL 63 N -3.08 1.59 0.42 2.92 1.01 0.12 -4.92 120.40 118.44 2qoz s VAL 63 Ca 0.53 -0.70 0.14 0.00 0.00 0.00 0.00 61.98 61.95 2qoz s VAL 63 Cb -0.11 -1.43 0.35 0.00 0.00 0.00 0.00 36.38 35.18 2qoz s VAL 63 CO 0.51 0.46 1.92 0.11 0.00 0.00 0.00 175.10 178.10 2qoz h LYS 64 N 7.31 0.45 -3.05 2.72 6.56 -1.90 -3.27 116.57 125.39 2qoz h LYS 64 Ca -0.30 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.26 2qoz h LYS 64 Cb 1.18 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 2qoz h LYS 64 CO 0.50 0.30 -0.45 0.41 -2.06 0.00 0.00 179.45 178.15 2qoz n GLY 65 N -1.51 -4.27 3.50 3.86 0.00 -1.26 -4.61 105.19 100.90 2qoz n GLY 65 Ca 0.14 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2qoz n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qoz n LYS 66 N 0.85 0.04 -3.86 1.61 5.02 -1.26 -4.49 118.16 116.07 2qoz n LYS 66 Ca 0.00 0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.20 2qoz n LYS 66 Cb 0.00 -1.99 -0.16 0.00 -0.02 0.00 0.00 35.03 32.86 2qoz n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qoz s VAL 67 N -2.15 0.06 0.00 -0.18 0.11 -1.26 -1.05 120.40 115.92 2qoz s VAL 67 Ca 0.64 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 2qoz s VAL 67 Cb -0.28 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 2qoz s VAL 67 CO 0.60 0.11 0.00 2.29 -3.33 0.00 0.00 175.10 174.77 2qoz n LYS 68 N 4.07 0.00 0.00 1.54 -0.00 0.10 -4.98 118.16 118.90 2qoz n LYS 68 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.05 2qoz n LYS 68 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.54 2qoz n LYS 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2qoz n ARG 69 N -0.15 0.00 -2.31 -1.58 0.63 -1.26 -3.05 116.66 108.94 2qoz n ARG 69 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 2qoz n ARG 69 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 2qoz n ARG 69 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2qoz s HIS 70 N -2.00 3.54 0.11 -0.14 0.00 -1.26 -4.81 115.29 110.74 2qoz s HIS 70 Ca 0.00 1.21 0.00 0.00 -3.00 0.00 0.00 55.06 53.27 2qoz s HIS 70 Cb 0.00 -2.62 0.00 0.00 -4.00 0.00 0.00 32.58 25.96 2qoz s HIS 70 CO 0.00 -0.43 0.00 0.41 -1.00 0.00 0.00 174.74 173.72 2qoz n GLY 71 N -2.11 -1.26 0.29 -1.38 0.00 -1.26 -3.85 105.19 95.63 2qoz n GLY 71 Ca 0.05 -1.05 0.11 0.00 0.00 0.00 0.00 46.02 45.12 2qoz n GLY 71 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2qoz h GLN 72 N 0.00 0.03 -6.95 1.61 3.07 -2.08 -3.41 115.11 107.38 2qoz h GLN 72 Ca 0.01 -0.00 -0.46 0.00 0.09 0.00 0.00 58.65 58.28 2qoz h GLN 72 Cb 0.44 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.98 2qoz h GLN 72 CO 0.00 0.02 0.25 1.03 0.09 0.00 0.00 178.83 180.23 2qoz s ARG 73 N -5.08 4.10 0.04 0.06 1.81 -1.25 -5.08 118.95 113.55 2qoz s ARG 73 Ca -0.05 0.92 -0.01 0.00 -1.72 0.00 0.00 55.73 54.86 2qoz s ARG 73 Cb 0.18 -2.27 -0.03 0.00 -0.45 0.00 0.00 34.95 32.37 2qoz s ARG 73 CO 0.69 0.00 -0.02 -1.50 -0.68 0.00 0.00 175.30 173.80 2qoz s ILE 74 N -2.17 0.19 0.09 1.52 1.10 -1.26 -4.14 121.20 116.52 2qoz s ILE 74 Ca 0.58 -1.58 0.06 0.00 -0.51 0.00 0.00 60.65 59.21 2qoz s ILE 74 Cb -0.10 -1.23 -0.03 0.00 0.15 0.00 0.00 42.46 41.25 2qoz s ILE 74 CO 0.17 -0.87 -0.16 -0.83 -2.11 0.00 0.00 174.94 171.14 2qoz s GLY 75 N -2.59 1.00 0.10 1.50 0.00 -1.17 -4.92 107.32 101.24 2qoz s GLY 75 Ca 0.02 -1.10 0.10 0.00 0.00 0.00 0.00 44.72 43.73 2qoz s GLY 75 CO -0.08 -1.12 -0.24 -1.60 0.00 0.00 0.00 173.10 170.05 2qoz s ARG 76 N -1.87 1.34 0.69 2.90 3.52 -1.26 0.02 118.95 124.29 2qoz s ARG 76 Ca 0.01 -1.22 -0.06 0.00 -0.13 0.00 0.00 55.73 54.33 2qoz s ARG 76 Cb -0.10 -1.69 0.05 0.00 -1.56 0.00 0.00 34.95 31.66 2qoz s ARG 76 CO 0.03 0.40 1.00 1.03 -0.81 0.00 0.00 175.30 176.95 2qoz s ARG 77 N -1.85 2.31 0.69 5.12 0.52 -0.22 -5.00 118.95 120.53 2qoz s ARG 77 Ca 0.10 -0.22 -0.06 0.00 -0.52 0.00 0.00 55.73 55.04 2qoz s ARG 77 Cb -0.10 -2.19 0.06 0.00 0.52 0.00 0.00 34.95 33.25 2qoz s ARG 77 CO 0.05 -1.16 0.99 -1.12 0.02 0.00 0.00 175.30 174.08 2qoz s SER 78 N -4.49 4.81 -0.09 0.23 0.01 -1.26 -4.79 113.70 108.13 2qoz s SER 78 Ca 0.59 0.37 0.01 0.00 1.31 0.00 0.00 55.95 58.23 2qoz s SER 78 Cb -0.11 -1.02 -0.02 0.00 0.21 0.00 0.00 66.02 65.08 2qoz s SER 78 CO 0.45 -1.58 -0.11 -1.81 0.41 0.00 0.00 173.24 170.60 2qoz s ASP 79 N -4.52 4.24 0.41 2.44 -0.00 -1.26 -4.20 116.67 113.77 2qoz s ASP 79 Ca 0.60 -0.19 0.03 0.00 -0.00 0.00 0.00 52.55 53.00 2qoz s ASP 79 Cb -0.10 -1.24 -0.03 0.00 -0.00 0.00 0.00 42.92 41.55 2qoz s ASP 79 CO 0.44 0.28 0.10 -1.66 -0.00 0.00 0.00 175.17 174.33 2qoz s TRP 80 N -0.31 1.82 0.21 4.23 1.48 -1.23 -4.85 118.94 120.29 2qoz s TRP 80 Ca 0.03 -1.20 0.06 0.00 -1.06 0.00 0.00 56.10 53.93 2qoz s TRP 80 Cb -0.13 -1.23 -0.04 0.00 -1.16 0.00 0.00 33.47 30.91 2qoz s TRP 80 CO 0.03 -0.19 0.18 0.21 -4.06 0.00 0.00 176.95 173.12 2qoz s LYS 81 N -3.75 2.95 0.23 3.25 2.20 0.81 -0.71 119.74 124.71 2qoz s LYS 81 Ca 0.23 -0.96 0.09 0.00 -0.36 0.00 0.00 55.97 54.97 2qoz s LYS 81 Cb 0.03 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 2qoz s LYS 81 CO 0.13 0.44 -0.02 0.21 -0.36 0.00 0.00 175.35 175.76 2qoz s LYS 82 N -3.53 2.29 0.00 4.03 2.20 0.42 -2.98 119.74 122.17 2qoz s LYS 82 Ca 0.32 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.63 2qoz s LYS 82 Cb -0.09 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 2qoz s LYS 82 CO 0.25 0.40 0.00 0.00 -0.36 0.00 0.00 175.35 175.64 2qoz n ALA 83 N -0.53 0.00 -3.11 3.13 0.00 -1.08 -3.61 120.51 115.30 2qoz n ALA 83 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 2qoz n ALA 83 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2qoz n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qoz n TYR 84 N -0.71 -2.98 -0.09 0.00 4.02 -0.89 -3.21 117.16 113.30 2qoz n TYR 84 Ca 0.00 1.16 -0.19 0.00 -0.01 0.00 0.00 57.90 58.86 2qoz n TYR 84 Cb 0.00 -3.92 -0.11 0.00 -0.02 0.00 0.00 39.34 35.29 2qoz n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2qoz h VAL 85 N 0.69 0.98 -3.29 -0.72 2.07 -0.93 0.55 116.25 115.61 2qoz h VAL 85 Ca -0.08 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.35 2qoz h VAL 85 Cb 1.05 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2qoz h VAL 85 CO 0.29 0.33 -0.73 0.35 0.02 0.00 0.00 177.57 177.83 2qoz n THR 86 N -4.49 -6.87 -4.65 2.57 -2.24 -1.26 -2.93 114.28 94.41 2qoz n THR 86 Ca -0.25 2.25 -0.34 0.00 -2.27 0.00 0.00 64.05 63.44 2qoz n THR 86 Cb 0.60 -3.54 -0.11 0.00 -2.10 0.00 0.00 70.33 65.17 2qoz n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qoz s LEU 87 N -1.28 3.13 0.00 3.22 1.43 -1.26 -1.51 118.68 122.40 2qoz s LEU 87 Ca 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2qoz s LEU 87 Cb 0.00 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.54 2qoz s LEU 87 CO 0.00 0.36 0.67 0.29 0.23 0.00 0.00 176.35 177.90 2qoz n LYS 88 N 2.23 0.00 0.00 1.70 4.76 -1.26 -4.54 118.16 121.04 2qoz n LYS 88 Ca -0.18 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 2qoz n LYS 88 Cb 0.53 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 2qoz n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qoz n GLU 89 N -1.90 0.00 0.00 1.97 -0.58 -1.26 -4.86 120.64 114.01 2qoz n GLU 89 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 2qoz n GLU 89 Cb 0.00 -0.18 0.12 0.00 -0.57 0.00 0.00 31.44 30.81 2qoz n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qoz n GLY 90 N 0.00 -0.47 3.55 0.62 0.00 -1.26 -4.70 105.19 102.94 2qoz n GLY 90 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 2qoz n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qoz n GLN 91 N -0.63 0.80 0.00 1.61 6.02 -1.26 -4.64 117.38 119.28 2qoz n GLN 91 Ca 0.03 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 2qoz n GLN 91 Cb 0.01 -3.47 0.00 0.00 1.02 0.00 0.00 30.24 27.80 2qoz n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2qoz n ASN 92 N 16.84 0.00 0.00 1.08 5.03 -1.26 -5.18 115.26 131.77 2qoz n ASN 92 Ca 0.42 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.92 2qoz n ASN 92 Cb 0.48 -0.00 0.29 0.00 -1.02 0.00 0.00 39.78 39.53 2qoz n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61