#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qoz n ALA 2 N 0.00 0.61 -0.22 0.00 0.00 -1.26 -4.74 120.51 114.89 2qoz n ALA 2 Ca 0.00 -0.93 0.31 0.00 0.00 0.00 0.00 53.44 52.82 2qoz n ALA 2 Cb 0.00 -2.96 0.70 0.00 0.00 0.00 0.00 19.45 17.19 2qoz n ALA 2 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qoz h LYS 3 N 15.24 0.00 -3.20 0.00 1.57 -2.01 -3.08 116.57 125.09 2qoz h LYS 3 Ca -0.10 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.05 2qoz h LYS 3 Cb 1.19 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.09 2qoz h LYS 3 CO 1.22 0.00 -0.67 0.42 -0.57 0.00 0.00 179.45 179.84 2qoz s ILE 4 N -4.76 2.09 0.00 1.86 -1.09 -1.26 -4.94 121.20 113.10 2qoz s ILE 4 Ca -0.04 -3.04 0.00 0.00 -2.23 0.00 0.00 60.65 55.34 2qoz s ILE 4 Cb 0.20 -2.45 0.00 0.00 -1.58 0.00 0.00 42.46 38.62 2qoz s ILE 4 CO 0.68 -0.85 0.00 0.54 -1.23 0.00 0.00 174.94 174.08 2qoz n ARG 5 N 3.24 -0.32 0.00 2.79 5.12 -1.17 -4.93 116.66 121.40 2qoz n ARG 5 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2qoz n ARG 5 Cb 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.63 2qoz n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qoz n ARG 6 N -0.91 0.00 -1.95 5.56 3.00 -1.26 -4.30 116.66 116.80 2qoz n ARG 6 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 2qoz n ARG 6 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 2qoz n ARG 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qoz s ASP 7 N -2.11 4.82 -0.24 6.15 1.11 -1.07 -4.10 116.67 121.23 2qoz s ASP 7 Ca 0.00 -0.75 -0.00 0.00 0.18 0.00 0.00 52.55 51.98 2qoz s ASP 7 Cb 0.00 -2.57 0.07 0.00 1.07 0.00 0.00 42.92 41.49 2qoz s ASP 7 CO 0.00 -3.10 -0.00 -1.81 1.18 0.00 0.00 175.17 171.44 2qoz s ASP 8 N 8.25 3.67 -0.60 0.27 -0.00 -1.25 -4.83 116.67 122.18 2qoz s ASP 8 Ca 0.74 -1.20 -0.28 0.00 -0.00 0.00 0.00 52.55 51.81 2qoz s ASP 8 Cb -0.07 -1.00 -0.11 0.00 -0.00 0.00 0.00 42.92 41.75 2qoz s ASP 8 CO 0.04 -0.29 2.47 1.21 -0.00 0.00 0.00 175.17 178.60 2qoz n GLU 9 N 4.78 0.80 -3.82 8.23 4.07 -1.26 -2.62 120.64 130.83 2qoz n GLU 9 Ca -0.09 0.04 -0.20 0.00 -0.06 0.00 0.00 57.16 56.85 2qoz n GLU 9 Cb 0.44 -2.86 -0.02 0.00 -0.06 0.00 0.00 31.44 28.95 2qoz n GLU 9 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2qoz s VAL 10 N 10.89 4.85 -0.19 6.31 -7.23 0.18 0.11 120.40 135.31 2qoz s VAL 10 Ca 1.09 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 60.30 2qoz s VAL 10 Cb -0.52 -3.70 -0.15 0.00 0.56 0.00 0.00 36.38 32.57 2qoz s VAL 10 CO 0.34 -0.28 -0.12 0.00 -0.31 0.00 0.00 175.10 174.74 2qoz n ILE 11 N -1.47 1.17 -0.08 -0.62 0.00 0.15 -1.21 119.36 117.30 2qoz n ILE 11 Ca -0.06 -0.52 0.00 0.00 0.00 0.00 0.00 62.75 62.17 2qoz n ILE 11 Cb 0.57 -1.05 0.00 0.00 0.00 0.00 0.00 39.64 39.17 2qoz n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qoz n VAL 12 N -2.96 -0.63 -3.01 9.51 0.31 -1.26 -0.98 118.33 119.30 2qoz n VAL 12 Ca -0.34 0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 63.94 2qoz n VAL 12 Cb 0.93 -0.14 0.02 0.00 -0.91 0.00 0.00 33.84 33.73 2qoz n VAL 12 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qoz n LEU 13 N -1.30 -0.39 0.00 7.52 4.32 0.14 -4.00 117.00 123.29 2qoz n LEU 13 Ca 0.00 -4.51 0.00 0.00 -0.02 0.00 0.00 56.01 51.48 2qoz n LEU 13 Cb 0.01 0.80 0.00 0.00 -1.62 0.00 0.00 43.42 42.62 2qoz n LEU 13 CO 0.00 2.21 0.00 1.07 -1.22 0.00 0.00 177.39 179.45 2qoz n THR 14 N 0.31 0.00 -1.53 -5.08 5.66 -1.26 -4.90 114.28 107.48 2qoz n THR 14 Ca 0.18 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.88 2qoz n THR 14 Cb 0.68 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.68 2qoz n THR 14 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2qoz s GLY 15 N 0.00 1.70 0.00 1.09 0.00 -1.26 -3.48 107.32 105.37 2qoz s GLY 15 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2qoz s GLY 15 CO 0.00 -0.29 0.00 0.28 0.00 0.00 0.00 173.10 173.09 2qoz n LYS 16 N -4.29 0.00 -1.70 2.90 4.76 -1.26 -3.12 118.16 115.45 2qoz n LYS 16 Ca 0.15 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.17 2qoz n LYS 16 Cb 0.59 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.77 2qoz n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qoz n ASP 17 N 5.21 3.67 0.00 4.39 10.43 -1.26 -4.84 116.55 134.14 2qoz n ASP 17 Ca 0.00 -2.81 0.00 0.00 2.57 0.00 0.00 54.79 54.55 2qoz n ASP 17 Cb 0.00 -1.55 0.00 0.00 1.84 0.00 0.00 41.12 41.41 2qoz n ASP 17 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2qoz n LYS 18 N 6.60 0.00 -1.75 -1.24 0.00 -1.18 -4.12 118.16 116.47 2qoz n LYS 18 Ca 0.51 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 58.42 2qoz n LYS 18 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.42 2qoz n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qoz n GLY 19 N 0.00 4.72 0.00 3.14 0.00 -1.26 -3.55 105.19 108.24 2qoz n GLY 19 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2qoz n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qoz n LYS 20 N 3.15 3.19 -3.64 1.61 4.01 -0.15 -4.97 118.16 121.36 2qoz n LYS 20 Ca 0.65 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 58.40 2qoz n LYS 20 Cb 0.27 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.72 2qoz n LYS 20 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2qoz s ARG 21 N 1.51 0.43 -0.11 1.97 3.52 -1.24 -4.35 118.95 120.68 2qoz s ARG 21 Ca 0.00 0.63 -0.33 0.00 -0.13 0.00 0.00 55.73 55.90 2qoz s ARG 21 Cb 0.00 0.14 0.13 0.00 -1.56 0.00 0.00 34.95 33.66 2qoz s ARG 21 CO 0.00 -0.07 1.23 0.20 -0.81 0.00 0.00 175.30 175.85 2qoz s GLY 22 N 0.86 -0.34 -0.23 8.12 0.00 -0.35 -4.98 107.32 110.41 2qoz s GLY 22 Ca -0.04 1.19 -0.18 0.00 0.00 0.00 0.00 44.72 45.69 2qoz s GLY 22 CO -0.12 0.35 0.52 0.54 0.00 0.00 0.00 173.10 174.40 2qoz s LYS 23 N -2.45 4.13 -0.23 2.90 3.01 -1.26 0.52 119.74 126.36 2qoz s LYS 23 Ca 0.11 0.38 -0.28 0.00 -1.01 0.00 0.00 55.97 55.17 2qoz s LYS 23 Cb 0.01 -3.61 -0.04 0.00 -1.01 0.00 0.00 37.83 33.19 2qoz s LYS 23 CO -0.04 -0.25 2.07 0.08 0.51 0.00 0.00 175.35 177.72 2qoz s VAL 24 N 1.97 3.16 0.03 3.17 1.01 -1.08 -0.38 120.40 128.28 2qoz s VAL 24 Ca 0.23 0.16 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 2qoz s VAL 24 Cb -0.15 -3.20 -0.17 0.00 0.00 0.00 0.00 36.38 32.86 2qoz s VAL 24 CO 0.09 -0.12 1.36 0.11 0.00 0.00 0.00 175.10 176.54 2qoz h LYS 25 N 14.09 -0.57 -1.59 2.72 1.57 0.24 -2.83 116.57 130.19 2qoz h LYS 25 Ca -0.39 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.53 2qoz h LYS 25 Cb 1.22 0.13 -0.21 0.00 0.08 0.00 0.00 32.23 33.45 2qoz h LYS 25 CO 0.98 -0.28 -0.09 0.54 -0.57 0.00 0.00 179.45 180.02 2qoz s ASN 26 N -4.81 -1.08 0.19 0.86 6.03 -1.13 -4.52 114.94 110.47 2qoz s ASN 26 Ca -0.15 1.27 -0.30 0.00 -1.03 0.00 0.00 52.86 52.66 2qoz s ASN 26 Cb 0.03 2.15 -0.08 0.00 -3.03 0.00 0.00 41.25 40.31 2qoz s ASN 26 CO 0.56 -0.21 1.17 0.54 -2.03 0.00 0.00 177.10 177.13 2qoz s VAL 27 N 2.82 3.64 0.02 3.54 0.11 -1.26 -2.68 120.40 126.59 2qoz s VAL 27 Ca -0.00 1.40 -0.08 0.00 -2.93 0.00 0.00 61.98 60.38 2qoz s VAL 27 Cb -0.12 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.79 2qoz s VAL 27 CO -0.19 0.24 0.30 -0.76 -3.33 0.00 0.00 175.10 171.36 2qoz s LEU 28 N -0.36 4.37 0.44 2.54 1.43 -0.05 -4.97 118.68 122.08 2qoz s LEU 28 Ca 0.51 0.63 0.22 0.00 -1.03 0.00 0.00 54.13 54.47 2qoz s LEU 28 Cb -0.32 -2.71 1.21 0.00 0.03 0.00 0.00 46.19 44.40 2qoz s LEU 28 CO 0.37 0.25 1.81 0.77 0.23 0.00 0.00 176.35 179.77 2qoz h SER 29 N 4.02 0.32 -0.87 2.29 4.64 -1.96 0.26 113.55 122.25 2qoz h SER 29 Ca -0.50 0.05 0.18 0.00 -0.47 0.00 0.00 61.79 61.05 2qoz h SER 29 Cb 1.20 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.22 2qoz h SER 29 CO 0.65 0.08 0.57 0.77 -0.87 0.00 0.00 176.83 178.04 2qoz h SER 30 N 0.30 0.46 0.00 4.97 4.64 -2.03 -3.45 113.55 118.43 2qoz h SER 30 Ca 0.54 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2qoz h SER 30 Cb 1.56 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 2qoz h SER 30 CO -0.19 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2qoz n GLY 31 N -1.50 1.11 3.74 -0.77 0.00 0.91 -5.11 105.19 103.58 2qoz n GLY 31 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2qoz n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qoz s LYS 32 N 0.00 4.78 -0.05 1.61 1.02 -1.25 -3.29 119.74 122.56 2qoz s LYS 32 Ca 0.00 1.52 0.01 0.00 0.02 0.00 0.00 55.97 57.53 2qoz s LYS 32 Cb 0.00 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 2qoz s LYS 32 CO 0.00 0.38 -0.07 0.14 -0.92 0.00 0.00 175.35 174.88 2qoz s VAL 33 N -0.79 3.70 -0.44 3.17 -7.23 -0.52 -0.87 120.40 117.41 2qoz s VAL 33 Ca 0.43 -0.56 -0.18 0.00 -1.81 0.00 0.00 61.98 59.87 2qoz s VAL 33 Cb -0.26 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.17 2qoz s VAL 33 CO 0.32 0.54 0.49 -0.63 -0.31 0.00 0.00 175.10 175.52 2qoz s ILE 34 N -0.87 5.03 0.12 -0.62 1.01 -1.09 -2.10 121.20 122.68 2qoz s ILE 34 Ca 0.14 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 2qoz s ILE 34 Cb -0.11 -4.12 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 2qoz s ILE 34 CO 0.03 -0.53 0.52 -0.69 0.00 0.00 0.00 174.94 174.27 2qoz s VAL 35 N 2.26 4.89 -0.13 2.92 1.01 -1.26 0.85 120.40 130.94 2qoz s VAL 35 Ca 0.13 0.82 -0.32 0.00 0.00 0.00 0.00 61.98 62.61 2qoz s VAL 35 Cb -0.18 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 2qoz s VAL 35 CO 0.13 0.31 2.01 1.21 0.00 0.00 0.00 175.10 178.77 2qoz n GLU 36 N 1.01 2.11 -3.51 2.72 4.07 0.49 -3.10 120.64 124.43 2qoz n GLU 36 Ca -0.07 0.72 -0.17 0.00 -0.06 0.00 0.00 57.16 57.59 2qoz n GLU 36 Cb 0.52 -2.81 0.00 0.00 -0.06 0.00 0.00 31.44 29.09 2qoz n GLU 36 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qoz n GLY 37 N 5.00 -1.22 0.00 8.31 0.00 -1.26 -4.55 105.19 111.47 2qoz n GLY 37 Ca 0.26 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.89 2qoz n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qoz n ILE 38 N -2.16 0.00 -2.31 -0.61 0.13 -1.18 -4.87 119.36 108.36 2qoz n ILE 38 Ca -0.19 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 61.49 2qoz n ILE 38 Cb 0.62 0.01 0.07 0.00 -0.84 0.00 0.00 39.64 39.50 2qoz n ILE 38 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2qoz n ASN 39 N -0.13 1.40 -4.69 9.51 5.15 -1.26 -4.70 115.26 120.54 2qoz n ASN 39 Ca 0.00 -2.52 -0.41 0.00 -0.60 0.00 0.00 54.58 51.04 2qoz n ASN 39 Cb 0.00 -0.38 0.01 0.00 -0.53 0.00 0.00 39.78 38.89 2qoz n ASN 39 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2qoz n LEU 40 N -0.05 3.81 -3.72 1.20 4.32 -1.25 -2.27 117.00 119.03 2qoz n LEU 40 Ca 0.11 1.10 -0.12 0.00 -0.02 0.00 0.00 56.01 57.08 2qoz n LEU 40 Cb 1.00 -1.48 -0.11 0.00 -1.62 0.00 0.00 43.42 41.21 2qoz n LEU 40 CO -0.01 -0.76 0.04 0.68 -1.22 0.00 0.00 177.39 176.12 2qoz s VAL 41 N -1.20 -0.01 -0.22 4.08 -7.23 0.10 -4.91 120.40 111.00 2qoz s VAL 41 Ca 0.61 0.05 -0.28 0.00 -1.81 0.00 0.00 61.98 60.55 2qoz s VAL 41 Cb -0.52 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 2qoz s VAL 41 CO 0.58 0.02 1.98 -0.54 -0.31 0.00 0.00 175.10 176.83 2qoz s LYS 42 N 0.80 3.40 0.00 4.82 3.01 -1.26 -3.19 119.74 127.32 2qoz s LYS 42 Ca -0.05 1.86 -0.01 0.00 -1.01 0.00 0.00 55.97 56.76 2qoz s LYS 42 Cb -0.06 -4.25 -0.04 0.00 -1.01 0.00 0.00 37.83 32.48 2qoz s LYS 42 CO -0.06 -1.78 0.14 0.21 0.51 0.00 0.00 175.35 174.37 2qoz s LYS 43 N 5.68 3.27 -1.02 1.68 2.36 0.22 -4.97 119.74 126.97 2qoz s LYS 43 Ca 0.89 -0.41 -0.05 0.00 -2.55 0.00 0.00 55.97 53.85 2qoz s LYS 43 Cb -0.30 -2.98 0.28 0.00 -1.05 0.00 0.00 37.83 33.77 2qoz s LYS 43 CO 0.35 0.65 1.15 0.72 1.55 0.00 0.00 175.35 179.77 2qoz n HIS 44 N 0.95 3.87 -2.10 4.03 8.25 -1.26 -1.37 115.22 127.59 2qoz n HIS 44 Ca -0.11 -3.51 -0.41 0.00 -0.26 0.00 0.00 57.72 53.43 2qoz n HIS 44 Cb 0.52 -1.34 -0.03 0.00 1.12 0.00 0.00 29.99 30.27 2qoz n HIS 44 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2qoz s GLN 45 N -1.95 3.12 0.09 -0.41 -0.44 0.35 -4.98 119.66 115.45 2qoz s GLN 45 Ca 0.31 0.99 -0.31 0.00 -2.50 0.00 0.00 55.36 53.85 2qoz s GLN 45 Cb -0.02 -4.23 -0.07 0.00 -1.64 0.00 0.00 33.01 27.05 2qoz s GLN 45 CO -0.02 -2.12 1.28 0.21 0.50 0.00 0.00 175.29 175.14 2qoz s LYS 46 N 6.02 4.39 0.43 1.67 2.20 -1.26 -1.43 119.74 131.75 2qoz s LYS 46 Ca 0.70 1.91 -0.25 0.00 -0.36 0.00 0.00 55.97 57.97 2qoz s LYS 46 Cb -0.17 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.77 2qoz s LYS 46 CO 0.28 -0.33 1.35 -1.25 -0.36 0.00 0.00 175.35 175.04 2qoz s PRO 47 N 1.02 3.81 -0.91 4.03 0.04 -1.26 -4.72 135.00 137.01 2qoz s PRO 47 Ca 0.61 2.25 -0.05 0.00 0.04 0.00 0.00 61.00 63.85 2qoz s PRO 47 Cb -0.33 -2.68 0.23 0.00 0.04 0.00 0.00 34.50 31.76 2qoz s PRO 47 CO 0.30 -0.66 0.82 0.54 0.04 0.00 0.00 177.00 178.04 2qoz s VAL 48 N -1.25 4.83 -0.74 -0.36 0.11 -1.26 -4.95 120.40 116.78 2qoz s VAL 48 Ca 0.59 -3.49 -0.26 0.00 -2.93 0.00 0.00 61.98 55.90 2qoz s VAL 48 Cb -0.40 -3.98 -0.17 0.00 -1.53 0.00 0.00 36.38 30.30 2qoz s VAL 48 CO 0.51 -1.08 2.07 -2.65 -3.33 0.00 0.00 175.10 170.62 2qoz n PRO 49 N 2.75 0.00 0.00 1.54 -0.02 -1.26 -4.44 135.00 133.57 2qoz n PRO 49 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2qoz n PRO 49 Cb 0.39 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 2qoz n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qoz n ALA 50 N 7.96 0.00 -1.40 3.55 0.00 -1.26 -5.10 120.51 124.26 2qoz n ALA 50 Ca 0.51 0.00 0.18 0.00 0.00 0.00 0.00 53.44 54.12 2qoz n ALA 50 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 2qoz n ALA 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qoz n LEU 51 N 0.00 -0.91 -1.00 0.00 0.00 -1.26 -4.69 117.00 109.15 2qoz n LEU 51 Ca 0.00 2.10 -0.08 0.00 0.00 0.00 0.00 56.01 58.03 2qoz n LEU 51 Cb 0.00 -3.95 -0.03 0.00 0.00 0.00 0.00 43.42 39.43 2qoz n LEU 51 CO 0.00 -2.61 -0.07 0.59 0.00 0.00 0.00 177.39 175.30 2qoz n ASN 52 N -4.26 -2.74 -4.19 1.96 3.02 -1.26 -4.87 115.26 102.91 2qoz n ASN 52 Ca -0.06 0.19 -0.38 0.00 -0.03 0.00 0.00 54.58 54.31 2qoz n ASN 52 Cb 0.66 -2.48 -0.11 0.00 -0.61 0.00 0.00 39.78 37.24 2qoz n ASN 52 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qoz s GLN 53 N -2.43 2.33 0.00 3.52 0.00 -1.26 -5.02 119.66 116.80 2qoz s GLN 53 Ca 0.00 -1.60 0.00 0.00 -0.00 0.00 0.00 55.36 53.76 2qoz s GLN 53 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 33.01 29.38 2qoz s GLN 53 CO 0.00 -0.98 0.40 -0.35 0.00 0.00 0.00 175.29 174.36 2qoz n PRO 54 N 4.75 0.00 -0.67 9.60 -0.04 -1.26 -4.66 135.00 142.72 2qoz n PRO 54 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2qoz n PRO 54 Cb 0.42 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 2qoz n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qoz n GLY 55 N 0.06 0.20 0.00 0.55 0.00 -1.26 -4.64 105.19 100.09 2qoz n GLY 55 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2qoz n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qoz n GLY 56 N -0.33 5.04 3.10 -0.02 0.00 -0.52 -4.59 105.19 107.86 2qoz n GLY 56 Ca 0.00 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 2qoz n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qoz s ILE 57 N 0.55 3.81 0.28 -0.61 1.01 -1.26 -0.49 121.20 124.49 2qoz s ILE 57 Ca 0.00 -3.05 -0.05 0.00 0.00 0.00 0.00 60.65 57.55 2qoz s ILE 57 Cb 0.00 -3.47 0.07 0.00 0.01 0.00 0.00 42.46 39.07 2qoz s ILE 57 CO 0.00 -0.90 0.27 0.52 0.00 0.00 0.00 174.94 174.82 2qoz n VAL 58 N 3.37 0.00 -2.93 2.92 0.31 -0.47 -4.70 118.33 116.83 2qoz n VAL 58 Ca 0.09 -0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2qoz n VAL 58 Cb 0.38 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 2qoz n VAL 58 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2qoz s GLU 59 N -3.60 0.62 0.54 5.55 2.12 -1.26 -0.61 118.70 122.06 2qoz s GLU 59 Ca 0.17 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.17 2qoz s GLU 59 Cb -0.01 0.03 0.04 0.00 0.26 0.00 0.00 34.13 34.45 2qoz s GLU 59 CO 0.13 -0.85 0.30 1.63 -0.54 0.00 0.00 175.26 175.93 2qoz n LYS 60 N 3.69 0.70 -0.13 4.30 4.01 -1.19 -4.63 118.16 124.91 2qoz n LYS 60 Ca 0.11 -3.51 -0.03 0.00 -0.51 0.00 0.00 58.31 54.37 2qoz n LYS 60 Cb 0.59 0.53 0.02 0.00 -0.51 0.00 0.00 35.03 35.67 2qoz n LYS 60 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2qoz n GLU 61 N -1.65 -0.97 0.00 1.97 -0.58 -1.26 0.01 120.64 118.17 2qoz n GLU 61 Ca -0.07 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 2qoz n GLU 61 Cb 0.63 -0.16 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 2qoz n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qoz n ALA 62 N -3.16 0.06 -0.85 0.62 0.00 -0.96 -4.67 120.51 111.54 2qoz n ALA 62 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qoz n ALA 62 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2qoz n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qoz n ALA 63 N -0.05 -1.30 -2.26 0.00 0.00 -1.26 -4.97 120.51 110.67 2qoz n ALA 63 Ca 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.60 2qoz n ALA 63 Cb 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 2qoz n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qoz s ILE 64 N -4.71 0.62 -0.27 0.00 1.10 -0.89 -4.88 121.20 112.18 2qoz s ILE 64 Ca 0.00 -1.80 -0.37 0.00 -0.51 0.00 0.00 60.65 57.96 2qoz s ILE 64 Cb 0.00 -1.52 -0.13 0.00 0.15 0.00 0.00 42.46 40.96 2qoz s ILE 64 CO 0.00 -0.82 1.92 0.00 -2.11 0.00 0.00 174.94 173.94 2qoz n GLN 65 N 0.18 1.33 -0.49 3.50 1.13 -1.26 -1.44 117.38 120.34 2qoz n GLN 65 Ca -0.14 0.46 0.42 0.00 -1.94 0.00 0.00 57.00 55.80 2qoz n GLN 65 Cb 0.60 -2.32 0.77 0.00 0.11 0.00 0.00 30.24 29.39 2qoz n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 2qoz h VAL 66 N 5.91 0.23 0.00 5.09 3.04 -1.88 0.44 116.25 129.08 2qoz h VAL 66 Ca -0.40 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 2qoz h VAL 66 Cb 1.31 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2qoz h VAL 66 CO 0.98 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 176.00 2qoz n SER 67 N -4.14 0.00 -0.11 3.17 3.41 -1.26 -1.82 113.62 112.88 2qoz n SER 67 Ca 0.34 -0.17 -0.14 0.00 -0.26 0.00 0.00 58.87 58.64 2qoz n SER 67 Cb 1.55 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 65.39 2qoz n SER 67 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qoz n ASN 68 N -0.92 1.69 -2.37 4.04 3.02 0.15 -5.00 115.26 115.87 2qoz n ASN 68 Ca 0.03 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2qoz n ASN 68 Cb 0.01 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2qoz n ASN 68 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2qoz n VAL 69 N -3.01 0.00 -3.64 2.41 0.24 -0.75 0.27 118.33 113.84 2qoz n VAL 69 Ca -0.37 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 61.89 2qoz n VAL 69 Cb 0.98 -1.85 -0.07 0.00 -1.47 0.00 0.00 33.84 31.43 2qoz n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qoz s ALA 70 N -3.85 -2.22 -0.08 2.33 0.00 -1.26 -4.62 121.76 112.05 2qoz s ALA 70 Ca 0.00 1.88 -0.29 0.00 0.00 0.00 0.00 51.96 53.55 2qoz s ALA 70 Cb 0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 23.12 21.37 2qoz s ALA 70 CO 0.00 -0.22 1.77 0.96 0.00 0.00 0.00 175.76 178.27 2qoz s ILE 71 N 0.48 3.43 -0.25 0.00 -4.36 -1.26 0.30 121.20 119.54 2qoz s ILE 71 Ca 0.01 0.51 -0.25 0.00 -0.26 0.00 0.00 60.65 60.65 2qoz s ILE 71 Cb -0.04 -3.37 -0.00 0.00 1.25 0.00 0.00 42.46 40.29 2qoz s ILE 71 CO -0.12 -0.09 0.86 0.12 0.24 0.00 0.00 174.94 175.95 2qoz s PHE 72 N 4.75 3.30 -0.34 1.37 5.36 0.29 -4.09 117.98 128.62 2qoz s PHE 72 Ca 0.79 1.15 0.23 0.00 -0.96 0.00 0.00 56.93 58.14 2qoz s PHE 72 Cb -0.34 -3.10 -0.01 0.00 -0.34 0.00 0.00 43.02 39.23 2qoz s PHE 72 CO 0.33 -0.43 0.98 0.27 -1.46 0.00 0.00 175.22 174.90 2qoz n ASN 73 N 6.08 0.64 0.00 6.13 2.04 -0.93 -4.79 115.26 124.43 2qoz n ASN 73 Ca 0.06 0.12 0.00 0.00 -0.44 0.00 0.00 54.58 54.32 2qoz n ASN 73 Cb 0.47 0.76 0.00 0.00 -2.53 0.00 0.00 39.78 38.48 2qoz n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qoz n ALA 74 N -2.07 0.00 0.32 -2.53 0.00 -1.26 -4.53 120.51 110.44 2qoz n ALA 74 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2qoz n ALA 74 Cb 0.51 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.22 2qoz n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qoz n ALA 75 N 0.00 1.43 -0.73 0.00 0.00 -1.26 -2.54 120.51 117.41 2qoz n ALA 75 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qoz n ALA 75 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2qoz n ALA 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qoz n THR 76 N -1.63 0.00 -3.60 0.00 -1.04 -1.26 -5.03 114.28 101.72 2qoz n THR 76 Ca 0.02 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.05 61.72 2qoz n THR 76 Cb 0.12 1.73 0.08 0.00 -1.82 0.00 0.00 70.33 70.44 2qoz n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qoz n GLY 77 N 0.02 -0.52 0.00 3.41 0.00 -1.05 -4.90 105.19 102.15 2qoz n GLY 77 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2qoz n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qoz n LYS 78 N -4.88 0.00 -4.15 1.61 0.00 -1.26 -4.97 118.16 104.51 2qoz n LYS 78 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.12 2qoz n LYS 78 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.48 2qoz n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qoz s ALA 79 N -1.00 0.73 -0.56 3.14 0.00 -1.26 -2.19 121.76 120.63 2qoz s ALA 79 Ca 0.00 -0.70 0.07 0.00 0.00 0.00 0.00 51.96 51.33 2qoz s ALA 79 Cb 0.00 -0.05 0.26 0.00 0.00 0.00 0.00 23.12 23.34 2qoz s ALA 79 CO 0.00 0.07 0.71 -0.25 0.00 0.00 0.00 175.76 176.29 2qoz n ASP 80 N 1.82 2.77 0.00 0.00 10.43 -1.26 -5.03 116.55 125.27 2qoz n ASP 80 Ca -0.20 -3.26 0.00 0.00 2.57 0.00 0.00 54.79 53.91 2qoz n ASP 80 Cb 0.55 -0.65 0.00 0.00 1.84 0.00 0.00 41.12 42.86 2qoz n ASP 80 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2qoz n ARG 81 N 0.85 0.00 0.00 -1.24 5.12 -1.26 -0.62 116.66 119.50 2qoz n ARG 81 Ca 0.28 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 2qoz n ARG 81 Cb 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 2qoz n ARG 81 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2qoz n VAL 82 N 0.00 0.00 -0.36 1.55 0.31 -1.26 -4.69 118.33 113.87 2qoz n VAL 82 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2qoz n VAL 82 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 2qoz n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qoz n GLY 83 N 0.10 -2.93 2.98 2.92 0.00 -1.26 -2.86 105.19 104.14 2qoz n GLY 83 Ca 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 2qoz n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qoz s PHE 84 N -3.75 0.53 0.00 1.61 0.40 -1.26 -2.40 117.98 113.12 2qoz s PHE 84 Ca 0.00 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2qoz s PHE 84 Cb 0.00 -0.34 0.00 0.00 0.51 0.00 0.00 43.02 43.19 2qoz s PHE 84 CO 0.00 -0.01 0.00 -2.13 0.70 0.00 0.00 175.22 173.78 2qoz n ARG 85 N 2.82 0.00 0.00 0.44 0.00 0.05 -4.93 116.66 115.04 2qoz n ARG 85 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 2qoz n ARG 85 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 2qoz n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2qoz n PHE 86 N -1.12 0.00 -0.08 -0.14 -0.00 -0.80 -4.59 117.46 110.73 2qoz n PHE 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2qoz n PHE 86 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2qoz n PHE 86 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 2qoz n GLU 87 N 0.00 1.55 -3.04 -4.13 -0.00 -1.26 -5.12 120.64 108.64 2qoz n GLU 87 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.04 2qoz n GLU 87 Cb 0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 31.44 31.28 2qoz n GLU 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2qoz n ASP 88 N 0.00 2.30 -0.15 -1.84 10.43 -1.26 -4.99 116.55 121.04 2qoz n ASP 88 Ca 0.00 -1.87 0.28 0.00 2.57 0.00 0.00 54.79 55.77 2qoz n ASP 88 Cb 0.00 0.19 0.67 0.00 1.84 0.00 0.00 41.12 43.81 2qoz n ASP 88 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 2qoz h GLY 89 N 0.51 0.00 -6.74 0.44 0.00 -2.06 -3.37 103.07 91.85 2qoz h GLY 89 Ca -0.16 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.60 2qoz h GLY 89 CO 0.26 0.00 1.12 0.54 0.00 0.00 0.00 176.54 178.46 2qoz s LYS 90 N -4.67 3.54 0.13 4.80 1.02 -1.26 -4.90 119.74 118.40 2qoz s LYS 90 Ca -0.04 1.09 -0.26 0.00 0.02 0.00 0.00 55.97 56.78 2qoz s LYS 90 Cb 0.18 -4.06 -0.04 0.00 -0.52 0.00 0.00 37.83 33.38 2qoz s LYS 90 CO 0.61 -1.60 1.63 -0.22 -0.92 0.00 0.00 175.35 174.85 2qoz h LYS 91 N 11.13 -0.39 -3.70 1.68 3.64 -1.94 -3.39 116.57 123.59 2qoz h LYS 91 Ca -0.29 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2qoz h LYS 91 Cb 1.12 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2qoz h LYS 91 CO 1.07 -0.26 -0.75 0.28 -2.27 0.00 0.00 179.45 177.52 2qoz n VAL 92 N -5.39-11.09 -2.86 2.00 0.31 -1.26 -1.80 118.33 98.25 2qoz n VAL 92 Ca -0.04 2.66 -0.41 0.00 -0.01 0.00 0.00 64.34 66.53 2qoz n VAL 92 Cb 0.30 -4.91 -0.04 0.00 -0.91 0.00 0.00 33.84 28.29 2qoz n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qoz s ARG 93 N -1.12 4.46 -0.39 5.55 0.52 -1.26 -0.77 118.95 125.94 2qoz s ARG 93 Ca 0.00 1.16 -0.10 0.00 -0.52 0.00 0.00 55.73 56.27 2qoz s ARG 93 Cb 0.00 -3.48 0.05 0.00 0.52 0.00 0.00 34.95 32.03 2qoz s ARG 93 CO 0.00 -0.09 0.21 -0.59 0.02 0.00 0.00 175.30 174.86 2qoz s PHE 94 N 1.24 3.28 -0.60 -0.53 -0.12 -1.01 -2.02 117.98 118.22 2qoz s PHE 94 Ca 0.44 -1.22 -0.36 0.00 -0.05 0.00 0.00 56.93 55.74 2qoz s PHE 94 Cb -0.19 -2.60 -0.16 0.00 -0.63 0.00 0.00 43.02 39.44 2qoz s PHE 94 CO 0.21 -0.73 2.34 1.19 -0.05 0.00 0.00 175.22 178.18 2qoz n PHE 95 N 4.95 1.14 -0.53 3.49 3.01 -1.25 -4.45 117.46 123.82 2qoz n PHE 95 Ca -0.11 0.46 -0.23 0.00 1.01 0.00 0.00 57.45 58.58 2qoz n PHE 95 Cb 0.45 -2.42 0.17 0.00 -0.01 0.00 0.00 39.48 37.66 2qoz n PHE 95 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2qoz n LYS 96 N 8.13 -2.36 0.00 -1.08 5.02 0.20 -1.62 118.16 126.46 2qoz n LYS 96 Ca 0.52 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 2qoz n LYS 96 Cb 0.11 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2qoz n LYS 96 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qoz n SER 97 N -1.74 0.00 0.00 4.39 2.88 -1.26 -4.13 113.62 113.76 2qoz n SER 97 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2qoz n SER 97 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2qoz n SER 97 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qoz n ASN 98 N 1.08 0.29 -3.35 -3.46 0.23 -1.21 -5.00 115.26 103.84 2qoz n ASN 98 Ca 0.00 -1.12 -0.24 0.00 -0.53 0.00 0.00 54.58 52.70 2qoz n ASN 98 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2qoz n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2qoz n SER 99 N -0.06 -4.10 -0.09 0.53 7.64 -0.64 -4.78 113.62 112.12 2qoz n SER 99 Ca 0.00 -0.40 0.26 0.00 1.01 0.00 0.00 58.87 59.74 2qoz n SER 99 Cb 0.37 -3.37 0.71 0.00 -1.01 0.00 0.00 64.21 60.91 2qoz n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2qoz h GLU 100 N -1.08 0.00 -6.55 1.43 4.57 -1.65 -3.45 114.58 107.85 2qoz h GLU 100 Ca -0.45 0.00 -0.41 0.00 -1.18 0.00 0.00 59.36 57.32 2qoz h GLU 100 Cb 1.30 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.90 2qoz h GLU 100 CO 0.55 0.00 -1.05 2.41 -1.18 0.00 0.00 179.01 179.74 2qoz n THR 101 N -3.96 -4.27 1.45 0.32 -1.04 -1.26 -4.76 114.28 100.76 2qoz n THR 101 Ca 0.15 0.04 0.14 0.00 -2.04 0.00 0.00 64.05 62.34 2qoz n THR 101 Cb 0.91 -3.56 0.48 0.00 -1.82 0.00 0.00 70.33 66.34 2qoz n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43