#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qzi n LYS 2 N 0.00 0.00 -2.39 0.00 3.00 -1.26 -5.14 118.16 112.37 2qzi n LYS 2 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 2qzi n LYS 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 2qzi n LYS 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2qzi s LEU 3 N 0.00 4.35 -0.14 3.14 2.01 -1.26 -4.38 118.68 122.40 2qzi s LEU 3 Ca 0.00 2.01 -0.02 0.00 0.01 0.00 0.00 54.13 56.13 2qzi s LEU 3 Cb 0.00 -3.57 -0.02 0.00 0.01 0.00 0.00 46.19 42.60 2qzi s LEU 3 CO 0.00 -0.53 -0.08 -0.63 1.01 0.00 0.00 176.35 176.12 2qzi s ILE 4 N 1.41 3.50 -0.14 -0.59 1.01 -0.81 -4.97 121.20 120.61 2qzi s ILE 4 Ca 0.59 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 2qzi s ILE 4 Cb -0.29 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 2qzi s ILE 4 CO 0.28 0.51 1.39 0.21 0.00 0.00 0.00 174.94 177.33 2qzi s ASN 5 N 0.36 6.83 0.00 3.58 3.84 -1.26 -1.13 114.94 127.16 2qzi s ASN 5 Ca -0.07 1.83 0.05 0.00 0.21 0.00 0.00 52.86 54.88 2qzi s ASN 5 Cb -0.15 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.13 2qzi s ASN 5 CO 0.04 -0.84 1.04 0.35 -2.79 0.00 0.00 177.10 174.90 2qzi n THR 6 N 5.48 0.85 -0.31 -5.21 -2.24 0.36 -4.80 114.28 108.41 2qzi n THR 6 Ca 0.15 -0.93 0.14 0.00 -2.27 0.00 0.00 64.05 61.14 2qzi n THR 6 Cb 0.44 0.59 0.31 0.00 -2.10 0.00 0.00 70.33 69.57 2qzi n THR 6 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2qzi h THR 7 N 0.87 0.44 0.00 4.28 2.02 -1.87 0.41 112.91 119.07 2qzi h THR 7 Ca 0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2qzi h THR 7 Cb 0.54 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2qzi h THR 7 CO 0.00 0.07 -0.05 4.11 0.37 0.00 0.00 175.52 180.02 2qzi h TRP 8 N 0.36 0.00 -0.01 3.16 5.08 -1.92 -0.79 115.95 121.83 2qzi h TRP 8 Ca 0.57 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.54 2qzi h TRP 8 Cb 1.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.26 2qzi h TRP 8 CO -0.15 0.05 -0.06 0.25 -1.28 0.00 0.00 178.44 177.24 2qzi n THR 9 N -3.86 0.00 -2.58 0.12 -2.24 0.13 -4.35 114.28 101.50 2qzi n THR 9 Ca -0.03 -0.16 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 2qzi n THR 9 Cb 0.14 0.23 0.02 0.00 -2.10 0.00 0.00 70.33 68.62 2qzi n THR 9 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qzi n HIS 10 N -0.34 2.04 0.03 4.78 8.25 -0.30 -4.93 115.22 124.74 2qzi n HIS 10 Ca 0.18 -2.84 -0.11 0.00 -0.26 0.00 0.00 57.72 54.69 2qzi n HIS 10 Cb 0.30 -0.26 0.02 0.00 1.12 0.00 0.00 29.99 31.17 2qzi n HIS 10 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2qzi h GLN 11 N 2.79 0.50 -0.09 -0.41 1.08 -1.76 -1.88 115.11 115.33 2qzi h GLN 11 Ca 0.06 -0.38 0.01 0.00 -1.45 0.00 0.00 58.65 56.89 2qzi h GLN 11 Cb 1.11 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.59 2qzi h GLN 11 CO 0.62 1.01 -0.18 1.49 -0.95 0.00 0.00 178.83 180.82 2qzi h GLU 12 N 0.35 -0.15 -0.62 1.46 4.57 -1.94 -0.14 114.58 118.11 2qzi h GLU 12 Ca -0.03 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.26 2qzi h GLU 12 Cb 1.27 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 29.78 2qzi h GLU 12 CO 0.13 -0.10 -0.40 1.25 -1.18 0.00 0.00 179.01 178.71 2qzi h LEU 13 N -0.15 -1.39 -0.45 1.64 5.85 -1.94 -0.85 115.31 118.02 2qzi h LEU 13 Ca 0.02 0.25 0.04 0.00 0.84 0.00 0.00 57.88 59.02 2qzi h LEU 13 Cb 0.20 0.66 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2qzi h LEU 13 CO -0.17 -0.32 0.22 0.58 -0.34 0.00 0.00 178.44 178.40 2qzi h VAL 14 N -0.18 0.95 -0.05 1.05 2.07 -1.26 -1.43 116.25 117.40 2qzi h VAL 14 Ca 0.21 -0.15 -0.20 0.00 0.82 0.00 0.00 66.70 67.38 2qzi h VAL 14 Cb 0.56 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2qzi h VAL 14 CO -0.71 0.08 -0.82 0.78 0.02 0.00 0.00 177.57 176.92 2qzi h ASN 15 N 0.43 0.49 -0.55 0.57 2.35 -0.73 0.12 115.58 118.26 2qzi h ASN 15 Ca 0.19 -0.35 0.07 0.00 -0.55 0.00 0.00 56.30 55.66 2qzi h ASN 15 Cb 0.11 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.28 2qzi h ASN 15 CO -0.14 1.12 0.24 0.78 -1.65 0.00 0.00 177.43 177.77 2qzi h ASN 16 N 0.25 0.29 -0.03 5.81 2.35 -0.69 0.23 115.58 123.79 2qzi h ASN 16 Ca -0.05 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 2qzi h ASN 16 Cb 1.42 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.80 2qzi h ASN 16 CO 0.14 0.19 -0.09 1.56 -1.65 0.00 0.00 177.43 177.59 2qzi h GLN 17 N 0.45 0.11 -0.54 0.81 1.08 -1.14 -2.38 115.11 113.51 2qzi h GLN 17 Ca 0.26 -0.08 0.07 0.00 -1.45 0.00 0.00 58.65 57.45 2qzi h GLN 17 Cb 0.25 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.64 2qzi h GLN 17 CO -0.23 0.69 0.23 -0.07 -0.95 0.00 0.00 178.83 178.50 2qzi h LEU 18 N -0.44 0.28 -0.64 1.46 3.38 -0.79 -1.82 115.31 116.74 2qzi h LEU 18 Ca -0.00 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2qzi h LEU 18 Cb 0.70 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2qzi h LEU 18 CO 0.02 0.19 -0.22 0.44 0.09 0.00 0.00 178.44 178.95 2qzi h ASP 19 N 0.44 0.00 0.00 -0.43 3.32 -0.57 -3.35 116.42 115.83 2qzi h ASP 19 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2qzi h ASP 19 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2qzi h ASP 19 CO -0.23 0.22 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 2qzi n ASN 20 N -3.25 1.39 -4.16 6.45 3.02 -0.90 -5.04 115.26 112.78 2qzi n ASN 20 Ca 0.01 -1.52 -0.23 0.00 -0.03 0.00 0.00 54.58 52.82 2qzi n ASN 20 Cb 0.52 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.60 2qzi n ASN 20 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2qzi s THR 21 N -0.52 0.65 -1.33 3.41 -4.23 -0.69 -5.01 115.64 107.92 2qzi s THR 21 Ca 0.00 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 2qzi s THR 21 Cb 0.00 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.65 2qzi s THR 21 CO 0.00 0.00 1.62 -0.90 -0.54 0.00 0.00 174.62 174.80 2qzi n ASP 22 N -1.06 0.00 -4.71 3.99 5.75 -1.26 -4.83 116.55 114.43 2qzi n ASP 22 Ca -0.03 0.12 -0.43 0.00 -0.01 0.00 0.00 54.79 54.44 2qzi n ASP 22 Cb 0.65 -0.33 -0.01 0.00 -1.03 0.00 0.00 41.12 40.40 2qzi n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qzi n ALA 23 N -1.33 1.61 0.32 2.12 0.00 -1.26 -4.31 120.51 117.65 2qzi n ALA 23 Ca 0.08 0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.93 2qzi n ALA 23 Cb 0.17 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.30 2qzi n ALA 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2qzi n PHE 24 N 1.01 0.00 -4.04 0.00 -1.74 -0.10 -4.64 117.46 107.95 2qzi n PHE 24 Ca 0.06 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.74 2qzi n PHE 24 Cb 0.35 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.19 2qzi n PHE 24 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2qzi s LEU 25 N -1.66 1.12 -0.06 5.98 0.20 -1.03 -5.00 118.68 118.22 2qzi s LEU 25 Ca 0.05 -0.14 -0.02 0.00 0.69 0.00 0.00 54.13 54.71 2qzi s LEU 25 Cb 0.06 -0.49 0.03 0.00 -0.43 0.00 0.00 46.19 45.36 2qzi s LEU 25 CO 0.21 -0.10 0.05 -0.69 -0.29 0.00 0.00 176.35 175.53 2qzi s VAL 26 N 1.28 0.00 0.11 1.68 1.01 -1.26 -1.22 120.40 122.00 2qzi s VAL 26 Ca -0.05 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.26 2qzi s VAL 26 Cb -0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2qzi s VAL 26 CO -0.02 0.13 -0.12 -1.61 0.00 0.00 0.00 175.10 173.48 2qzi s GLU 27 N 2.12 0.95 0.05 2.72 2.02 0.09 -4.95 118.70 121.71 2qzi s GLU 27 Ca 0.05 -1.21 0.09 0.00 0.02 0.00 0.00 54.97 53.91 2qzi s GLU 27 Cb -0.13 -0.75 -0.03 0.00 0.10 0.00 0.00 34.13 33.32 2qzi s GLU 27 CO -0.04 0.14 -0.24 0.95 0.02 0.00 0.00 175.26 176.08 2qzi s THR 28 N -2.27 1.93 0.05 3.63 -4.23 -1.26 0.01 115.64 113.51 2qzi s THR 28 Ca 0.08 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 2qzi s THR 28 Cb -0.04 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 2qzi s THR 28 CO 0.02 0.26 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.97 2qzi s TYR 29 N -0.83 0.75 0.08 3.99 2.02 -0.56 -0.48 117.35 122.31 2qzi s TYR 29 Ca 0.10 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 2qzi s TYR 29 Cb -0.09 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 40.98 2qzi s TYR 29 CO 0.02 -0.08 0.21 -1.54 -1.57 0.00 0.00 175.55 172.60 2qzi s SER 30 N -1.83 6.31 -0.47 2.29 1.04 -0.28 -1.07 113.70 119.69 2qzi s SER 30 Ca -0.06 0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.64 2qzi s SER 30 Cb -0.08 -1.92 0.16 0.00 0.10 0.00 0.00 66.02 64.28 2qzi s SER 30 CO -0.00 0.15 0.33 0.00 0.98 0.00 0.00 173.24 174.70 2qzi s ALA 31 N -1.54 2.03 0.00 5.32 0.00 0.12 -1.92 121.76 125.76 2qzi s ALA 31 Ca 0.35 -2.69 0.00 0.00 0.00 0.00 0.00 51.96 49.61 2qzi s ALA 31 Cb -0.13 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2qzi s ALA 31 CO 0.28 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.41 2qzi n GLY 32 N 3.02 2.66 1.17 0.00 0.00 -1.26 -1.95 105.19 108.82 2qzi n GLY 32 Ca 0.20 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.95 2qzi n GLY 32 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qzi n ASN 33 N 4.19 3.41 -4.82 1.61 0.23 -1.26 -4.81 115.26 113.81 2qzi n ASN 33 Ca 0.00 -2.27 -0.38 0.00 -0.53 0.00 0.00 54.58 51.40 2qzi n ASN 33 Cb 0.00 -0.46 -0.06 0.00 -2.08 0.00 0.00 39.78 37.18 2qzi n ASN 33 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2qzi s THR 34 N -1.69 5.03 0.04 5.53 2.01 -0.82 -4.62 115.64 121.12 2qzi s THR 34 Ca 0.36 0.88 0.02 0.00 0.31 0.00 0.00 61.69 63.26 2qzi s THR 34 Cb 0.23 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2qzi s THR 34 CO 0.18 0.54 0.04 -1.81 -0.69 0.00 0.00 174.62 172.89 2qzi s ASP 35 N -0.81 5.35 -0.04 3.53 1.01 0.31 0.11 116.67 126.13 2qzi s ASP 35 Ca 0.24 -0.01 0.01 0.00 0.71 0.00 0.00 52.55 53.50 2qzi s ASP 35 Cb -0.17 -1.42 0.02 0.00 1.01 0.00 0.00 42.92 42.37 2qzi s ASP 35 CO 0.13 0.22 -0.06 -0.69 0.21 0.00 0.00 175.17 174.98 2qzi s VAL 36 N -1.26 0.63 -0.09 -1.27 1.01 -0.23 -1.09 120.40 118.10 2qzi s VAL 36 Ca 0.25 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2qzi s VAL 36 Cb -0.12 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 2qzi s VAL 36 CO 0.17 0.24 -0.13 -0.69 0.00 0.00 0.00 175.10 174.69 2qzi s VAL 37 N 0.79 3.14 -0.12 2.92 1.01 -0.04 -1.50 120.40 126.60 2qzi s VAL 37 Ca -0.11 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2qzi s VAL 37 Cb -0.14 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.96 2qzi s VAL 37 CO 0.01 0.56 -0.22 0.12 0.00 0.00 0.00 175.10 175.56 2qzi s PHE 38 N -0.20 2.55 0.22 5.22 5.36 0.10 -0.59 117.98 130.64 2qzi s PHE 38 Ca 0.01 -1.19 0.04 0.00 -0.96 0.00 0.00 56.93 54.82 2qzi s PHE 38 Cb -0.13 -1.73 -0.05 0.00 -0.34 0.00 0.00 43.02 40.76 2qzi s PHE 38 CO 0.03 -0.53 -0.02 0.95 -1.46 0.00 0.00 175.22 174.20 2qzi s THR 39 N 0.65 1.04 -0.02 0.12 -4.23 0.07 -0.73 115.64 112.53 2qzi s THR 39 Ca -0.12 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.37 2qzi s THR 39 Cb -0.16 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.42 2qzi s THR 39 CO 0.02 -0.39 -0.04 -1.58 -0.54 0.00 0.00 174.62 172.09 2qzi s GLN 40 N -3.85 0.59 0.29 3.99 0.74 -0.36 -1.06 119.66 120.01 2qzi s GLN 40 Ca 0.27 -0.12 0.04 0.00 0.05 0.00 0.00 55.36 55.59 2qzi s GLN 40 Cb 0.05 -0.62 -0.06 0.00 1.10 0.00 0.00 33.01 33.49 2qzi s GLN 40 CO 0.07 0.00 0.04 0.00 -0.55 0.00 0.00 175.29 174.86 2qzi s ALA 41 N 0.47 2.14 0.04 1.58 0.00 -0.30 -0.93 121.76 124.77 2qzi s ALA 41 Ca -0.06 -1.96 -0.35 0.00 0.00 0.00 0.00 51.96 49.59 2qzi s ALA 41 Cb -0.09 0.66 -0.14 0.00 0.00 0.00 0.00 23.12 23.54 2qzi s ALA 41 CO -0.00 -0.30 1.61 -2.30 0.00 0.00 0.00 175.76 174.76 2qzi n PRO 42 N -0.59 1.81 -0.27 0.00 -0.02 -1.26 -2.76 135.00 131.91 2qzi n PRO 42 Ca -0.03 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2qzi n PRO 42 Cb 0.66 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2qzi n PRO 42 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2qzi n LYS 43 N 4.17 0.00 -3.62 -0.52 4.76 -0.83 -4.98 118.16 117.14 2qzi n LYS 43 Ca 0.20 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.51 2qzi n LYS 43 Cb 0.25 -1.27 -0.07 0.00 -1.84 0.00 0.00 35.03 32.10 2qzi n LYS 43 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2qzi s HIS 44 N -2.94 -0.64 0.35 2.13 -3.43 -1.11 -0.77 115.29 108.87 2qzi s HIS 44 Ca 0.00 1.51 -0.00 0.00 -0.80 0.00 0.00 55.06 55.76 2qzi s HIS 44 Cb 0.00 0.33 -0.03 0.00 -1.43 0.00 0.00 32.58 31.44 2qzi s HIS 44 CO 0.00 -0.34 0.57 0.71 -2.00 0.00 0.00 174.74 173.67 2qzi s TYR 45 N 0.11 3.50 0.02 0.38 2.02 0.10 -1.15 117.35 122.33 2qzi s TYR 45 Ca 0.00 0.40 0.02 0.00 -0.37 0.00 0.00 57.07 57.12 2qzi s TYR 45 Cb -0.04 -1.94 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 2qzi s TYR 45 CO -0.01 0.10 -0.06 -1.21 -1.57 0.00 0.00 175.55 172.80 2qzi s GLU 46 N -4.30 0.43 -0.06 -0.62 0.41 -0.22 -0.65 118.70 113.68 2qzi s GLU 46 Ca 0.41 -0.43 0.05 0.00 -0.41 0.00 0.00 54.97 54.59 2qzi s GLU 46 Cb -0.10 -0.30 -0.01 0.00 -1.78 0.00 0.00 34.13 31.94 2qzi s GLU 46 CO 0.36 0.07 -0.23 -0.51 -0.49 0.00 0.00 175.26 174.46 2qzi s LEU 47 N -0.77 2.03 -0.13 1.80 1.43 -0.43 -0.75 118.68 121.86 2qzi s LEU 47 Ca -0.04 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2qzi s LEU 47 Cb -0.06 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.89 2qzi s LEU 47 CO 0.00 0.20 -0.17 -0.76 0.23 0.00 0.00 176.35 175.85 2qzi s LEU 48 N 0.01 1.86 -0.12 1.79 2.01 0.24 -1.69 118.68 122.78 2qzi s LEU 48 Ca -0.07 -0.51 0.02 0.00 0.01 0.00 0.00 54.13 53.58 2qzi s LEU 48 Cb -0.14 -1.24 0.01 0.00 0.01 0.00 0.00 46.19 44.82 2qzi s LEU 48 CO 0.05 0.02 -0.19 -0.63 1.01 0.00 0.00 176.35 176.61 2qzi s ILE 49 N 1.05 1.76 0.17 -0.59 1.01 -0.12 -0.86 121.20 123.62 2qzi s ILE 49 Ca -0.04 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 2qzi s ILE 49 Cb -0.15 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2qzi s ILE 49 CO -0.04 0.49 0.35 -0.94 0.00 0.00 0.00 174.94 174.80 2qzi s SER 50 N 0.81 -0.04 -0.08 3.58 1.04 -0.25 -0.68 113.70 118.09 2qzi s SER 50 Ca -0.09 -0.76 -0.03 0.00 0.48 0.00 0.00 55.95 55.54 2qzi s SER 50 Cb -0.16 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.48 2qzi s SER 50 CO 0.00 -0.94 0.17 0.21 0.98 0.00 0.00 173.24 173.66 2qzi s ASN 51 N -2.94 -0.13 0.26 7.02 3.84 -1.09 -0.53 114.94 121.37 2qzi s ASN 51 Ca 0.15 0.35 0.04 0.00 0.21 0.00 0.00 52.86 53.62 2qzi s ASN 51 Cb 0.02 0.24 0.33 0.00 -0.55 0.00 0.00 41.25 41.29 2qzi s ASN 51 CO -0.01 -0.15 1.62 0.11 -2.79 0.00 0.00 177.10 175.88 2qzi h LYS 52 N 7.26 0.29 0.00 0.43 1.57 -1.89 -3.36 116.57 120.87 2qzi h LYS 52 Ca -0.42 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 2qzi h LYS 52 Cb 1.14 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2qzi h LYS 52 CO 0.41 0.72 -1.63 0.72 -0.57 0.00 0.00 179.45 179.10 2qzi n HIS 53 N -3.96 0.00 -3.94 -1.35 -0.00 -1.26 -5.06 115.22 99.65 2qzi n HIS 53 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.61 2qzi n HIS 53 Cb 0.55 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.99 30.18 2qzi n HIS 53 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 2qzi s ARG 54 N -3.03 1.82 0.34 -0.41 1.70 -1.26 -5.15 118.95 112.96 2qzi s ARG 54 Ca -0.05 -1.32 -0.29 0.00 -0.47 0.00 0.00 55.73 53.61 2qzi s ARG 54 Cb 0.10 0.53 -0.11 0.00 -0.57 0.00 0.00 34.95 34.91 2qzi s ARG 54 CO 0.65 -0.80 1.43 0.00 -1.08 0.00 0.00 175.30 175.50 2qzi s ALA 55 N -3.46 3.57 -0.03 7.88 0.00 -1.26 -4.54 121.76 123.92 2qzi s ALA 55 Ca 0.20 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.30 2qzi s ALA 55 Cb -0.03 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2qzi s ALA 55 CO 0.11 -0.88 1.18 0.08 0.00 0.00 0.00 175.76 176.25 2qzi s VAL 56 N -0.89 4.27 0.41 0.00 1.01 -0.97 -4.99 120.40 119.24 2qzi s VAL 56 Ca 0.53 1.61 -0.22 0.00 0.00 0.00 0.00 61.98 63.90 2qzi s VAL 56 Cb -0.44 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 31.81 2qzi s VAL 56 CO 0.56 0.04 0.97 -0.54 0.00 0.00 0.00 175.10 176.13 2qzi s LYS 57 N 1.86 4.23 0.27 2.72 1.02 -1.26 -4.93 119.74 123.65 2qzi s LYS 57 Ca 0.56 1.23 -0.00 0.00 0.02 0.00 0.00 55.97 57.77 2qzi s LYS 57 Cb -0.25 -2.32 0.49 0.00 -0.52 0.00 0.00 37.83 35.23 2qzi s LYS 57 CO 0.24 -0.04 1.85 -0.44 -0.92 0.00 0.00 175.35 176.04 2qzi h ASP 58 N 2.16 0.95 0.73 2.83 3.32 -1.99 0.12 116.42 124.53 2qzi h ASP 58 Ca -0.49 0.03 -0.26 0.00 0.02 0.00 0.00 57.03 56.34 2qzi h ASP 58 Cb 1.19 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 2qzi h ASP 58 CO 0.62 0.55 -1.24 0.78 -1.72 0.00 0.00 179.24 178.22 2qzi h ASN 59 N 1.05 0.22 0.26 6.45 2.35 -1.99 -1.09 115.58 122.82 2qzi h ASN 59 Ca 0.47 -0.26 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2qzi h ASN 59 Cb 0.36 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2qzi h ASN 59 CO -0.23 1.21 -0.40 -0.08 -1.65 0.00 0.00 177.43 176.27 2qzi h GLU 60 N 0.04 0.20 -0.14 0.81 4.81 -1.92 -1.49 114.58 116.88 2qzi h GLU 60 Ca -0.12 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2qzi h GLU 60 Cb 1.91 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.27 2qzi h GLU 60 CO 0.16 0.57 0.03 1.25 -0.73 0.00 0.00 179.01 180.29 2qzi h LEU 61 N 0.17 0.02 0.17 1.64 6.46 -0.60 -2.40 115.31 120.76 2qzi h LEU 61 Ca 0.02 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2qzi h LEU 61 Cb 0.79 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.70 2qzi h LEU 61 CO 0.06 0.03 -0.37 -0.33 -0.62 0.00 0.00 178.44 177.21 2qzi h GLU 62 N 0.09 -0.61 -0.64 1.25 4.39 -1.01 0.25 114.58 118.30 2qzi h GLU 62 Ca 0.06 0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.94 2qzi h GLU 62 Cb 0.05 0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 28.72 2qzi h GLU 62 CO -0.08 -0.41 -0.09 0.28 -1.16 0.00 0.00 179.01 177.55 2qzi h VAL 63 N -0.63 0.40 -0.14 3.13 2.07 -1.31 0.17 116.25 119.94 2qzi h VAL 63 Ca 0.02 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2qzi h VAL 63 Cb 0.64 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2qzi h VAL 63 CO -0.19 0.01 -0.18 0.40 0.02 0.00 0.00 177.57 177.62 2qzi h ILE 64 N 0.04 1.36 -0.54 4.57 2.04 -1.12 -1.60 117.51 122.25 2qzi h ILE 64 Ca 0.32 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.79 2qzi h ILE 64 Cb 0.51 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 2qzi h ILE 64 CO -0.62 0.41 0.35 -0.09 0.00 0.00 0.00 178.15 178.20 2qzi h ARG 65 N -0.02 0.71 -0.27 2.37 2.43 -0.32 -2.68 114.38 116.60 2qzi h ARG 65 Ca 0.02 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 2qzi h ARG 65 Cb 0.74 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2qzi h ARG 65 CO 0.04 0.48 -0.22 0.93 -1.51 0.00 0.00 179.97 179.69 2qzi h GLU 66 N 0.73 0.50 -0.65 0.20 4.39 -0.57 -2.33 114.58 116.84 2qzi h GLU 66 Ca 0.20 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 2qzi h GLU 66 Cb -0.08 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2qzi h GLU 66 CO -0.04 0.69 0.21 0.35 -1.16 0.00 0.00 179.01 179.06 2qzi h PHE 67 N 0.45 1.02 -0.13 4.33 3.57 -0.97 -0.33 116.94 124.88 2qzi h PHE 67 Ca 0.07 -0.09 -0.17 0.00 3.53 0.00 0.00 57.97 61.31 2qzi h PHE 67 Cb 0.63 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 39.08 2qzi h PHE 67 CO 0.02 0.81 -0.59 0.74 -2.23 0.00 0.00 178.31 177.06 2qzi h PHE 68 N 0.96 0.84 -0.71 0.41 0.04 -1.39 -1.47 116.94 115.62 2qzi h PHE 68 Ca 0.21 -0.37 0.09 0.00 2.80 0.00 0.00 57.97 60.71 2qzi h PHE 68 Cb 0.26 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 2qzi h PHE 68 CO 0.02 1.16 0.47 -0.07 -0.60 0.00 0.00 178.31 179.29 2qzi h LEU 69 N 0.28 0.55 0.02 1.54 3.38 -1.23 0.11 115.31 119.96 2qzi h LEU 69 Ca -0.04 0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 2qzi h LEU 69 Cb 1.23 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 2qzi h LEU 69 CO 0.12 0.33 -1.49 0.50 0.09 0.00 0.00 178.44 177.99 2qzi h LYS 70 N 0.61 0.05 0.00 1.13 3.64 -1.07 -3.41 116.57 117.51 2qzi h LYS 70 Ca 0.33 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2qzi h LYS 70 Cb 0.47 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2qzi h LYS 70 CO -0.11 0.76 -0.55 0.54 -2.27 0.00 0.00 179.45 177.82 2qzi n ARG 71 N -3.21 2.77 0.00 1.90 1.74 -0.55 -4.87 116.66 114.44 2qzi n ARG 71 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 2qzi n ARG 71 Cb 1.02 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.71 2qzi n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qzi n LYS 72 N -1.15 2.06 -4.25 5.56 4.76 -0.51 -5.03 118.16 119.61 2qzi n LYS 72 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 2qzi n LYS 72 Cb 0.00 -0.76 -0.10 0.00 -1.84 0.00 0.00 35.03 32.33 2qzi n LYS 72 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2qzi s ILE 73 N -1.52 4.41 -0.65 -0.18 1.01 0.27 -5.03 121.20 119.52 2qzi s ILE 73 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 60.65 60.22 2qzi s ILE 73 Cb 0.00 -2.92 0.05 0.00 0.01 0.00 0.00 42.46 39.60 2qzi s ILE 73 CO 0.00 0.54 1.07 -0.62 0.00 0.00 0.00 174.94 175.92 2qzi s ASP 74 N -0.22 6.23 0.56 3.58 -1.08 -1.26 -4.76 116.67 119.72 2qzi s ASP 74 Ca 0.06 -0.61 0.33 0.00 -0.52 0.00 0.00 52.55 51.81 2qzi s ASP 74 Cb -0.12 -2.47 1.65 0.00 -1.46 0.00 0.00 42.92 40.51 2qzi s ASP 74 CO 0.02 -1.51 2.11 0.11 0.52 0.00 0.00 175.17 176.42 2qzi h LYS 75 N 9.64 0.00 -0.12 4.34 1.57 -1.95 -2.30 116.57 127.75 2qzi h LYS 75 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2qzi h LYS 75 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2qzi h LYS 75 CO 1.19 0.06 0.08 -0.44 -0.57 0.00 0.00 179.45 179.78 2qzi h ASP 76 N 0.00 0.14 0.11 0.86 5.19 -2.00 -2.45 116.42 118.27 2qzi h ASP 76 Ca -0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2qzi h ASP 76 Cb 0.31 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.79 2qzi h ASP 76 CO 0.01 0.10 -0.55 2.30 -3.12 0.00 0.00 179.24 177.98 2qzi n ILE 77 N -4.52 0.00 -3.27 0.35 -5.35 -0.87 -4.95 119.36 100.75 2qzi n ILE 77 Ca -0.01 -0.14 -0.38 0.00 -0.27 0.00 0.00 62.75 61.95 2qzi n ILE 77 Cb 0.08 0.87 -0.06 0.00 -1.74 0.00 0.00 39.64 38.80 2qzi n ILE 77 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qzi s VAL 78 N -2.67 5.10 0.70 7.28 0.11 -0.92 -1.15 120.40 128.85 2qzi s VAL 78 Ca 0.16 1.07 -0.13 0.00 -2.93 0.00 0.00 61.98 60.16 2qzi s VAL 78 Cb 0.18 -3.86 0.02 0.00 -1.53 0.00 0.00 36.38 31.18 2qzi s VAL 78 CO 0.65 0.35 1.09 -0.76 -3.33 0.00 0.00 175.10 173.10 2qzi s LEU 79 N 0.36 3.23 0.00 2.54 1.02 0.48 -4.97 118.68 121.33 2qzi s LEU 79 Ca 0.28 1.86 0.00 0.00 0.02 0.00 0.00 54.13 56.29 2qzi s LEU 79 Cb -0.16 -4.53 0.00 0.00 0.02 0.00 0.00 46.19 41.52 2qzi s LEU 79 CO 0.13 -1.71 0.00 -0.90 0.02 0.00 0.00 176.35 173.89 2qzi n ASP 81 N -2.90 0.00 -0.64 2.29 5.75 -1.26 -3.54 116.55 116.25 2qzi n ASP 81 Ca 0.09 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.94 2qzi n ASP 81 Cb 0.53 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.80 2qzi n ASP 81 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qzi n LYS 82 N 0.00 2.76 -1.86 0.11 4.76 -1.26 -5.02 118.16 117.64 2qzi n LYS 82 Ca 0.00 -2.40 -0.41 0.00 -2.87 0.00 0.00 58.31 52.63 2qzi n LYS 82 Cb 0.00 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 31.67 2qzi n LYS 82 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qzi s LEU 83 N -1.97 4.34 -0.11 -0.35 1.43 -1.23 -4.61 118.68 116.17 2qzi s LEU 83 Ca 0.30 2.97 0.01 0.00 -1.03 0.00 0.00 54.13 56.39 2qzi s LEU 83 Cb 0.22 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.79 2qzi s LEU 83 CO 0.10 -0.81 -0.14 -0.60 0.23 0.00 0.00 176.35 175.13 2qzi s ARG 84 N -1.93 2.16 -0.18 1.70 3.52 -0.94 -5.00 118.95 118.27 2qzi s ARG 84 Ca 0.53 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 2qzi s ARG 84 Cb -0.45 -1.88 0.03 0.00 -1.56 0.00 0.00 34.95 31.08 2qzi s ARG 84 CO 0.60 -0.11 -0.17 0.99 -0.81 0.00 0.00 175.30 175.81 2qzi s THR 85 N 1.12 1.90 -0.31 4.11 2.01 -1.26 -0.50 115.64 122.71 2qzi s THR 85 Ca -0.04 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.96 2qzi s THR 85 Cb -0.14 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.59 2qzi s THR 85 CO -0.04 0.43 0.11 -0.69 -0.69 0.00 0.00 174.62 173.74 2qzi s VAL 86 N 1.34 4.13 -0.25 3.82 1.01 0.47 -4.97 120.40 125.95 2qzi s VAL 86 Ca 0.03 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2qzi s VAL 86 Cb -0.14 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 2qzi s VAL 86 CO -0.11 0.04 0.05 -1.00 0.00 0.00 0.00 175.10 174.07 2qzi s HIS 87 N 1.52 3.06 0.28 5.22 3.76 -1.26 -0.76 115.29 127.11 2qzi s HIS 87 Ca 0.03 -0.61 0.11 0.00 -0.15 0.00 0.00 55.06 54.43 2qzi s HIS 87 Cb -0.17 -2.21 -0.05 0.00 1.11 0.00 0.00 32.58 31.25 2qzi s HIS 87 CO 0.04 -0.43 -0.16 0.95 -0.85 0.00 0.00 174.74 174.28 2qzi s THR 88 N 1.57 2.28 0.05 1.30 -4.23 0.03 -5.02 115.64 111.62 2qzi s THR 88 Ca 0.06 -2.33 -0.12 0.00 -1.18 0.00 0.00 61.69 58.12 2qzi s THR 88 Cb -0.15 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 2qzi s THR 88 CO 0.02 -0.39 1.20 0.44 -0.54 0.00 0.00 174.62 175.35 2qzi h ASP 89 N 2.27 -0.73 0.00 3.99 3.32 -1.98 -2.11 116.42 121.17 2qzi h ASP 89 Ca -0.40 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2qzi h ASP 89 Cb 1.25 0.31 0.00 0.00 0.22 0.00 0.00 39.33 41.11 2qzi h ASP 89 CO 0.63 -0.12 0.00 0.29 -1.72 0.00 0.00 179.24 178.31 2qzi n LYS 90 N -3.74 0.99 -3.66 3.56 5.02 -1.26 -2.30 118.16 116.77 2qzi n LYS 90 Ca -0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.21 2qzi n LYS 90 Cb 0.11 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.54 2qzi n LYS 90 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qzi s LEU 91 N -2.00 -0.65 -0.10 -0.35 2.96 -0.79 -2.67 118.68 115.07 2qzi s LEU 91 Ca 0.48 1.12 0.04 0.00 -0.22 0.00 0.00 54.13 55.54 2qzi s LEU 91 Cb 0.22 1.60 -0.00 0.00 0.50 0.00 0.00 46.19 48.50 2qzi s LEU 91 CO 0.37 -0.22 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.32 2qzi s ILE 92 N 2.36 2.18 -0.10 6.68 1.01 0.15 -0.79 121.20 132.68 2qzi s ILE 92 Ca -0.05 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.66 2qzi s ILE 92 Cb -0.11 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.53 2qzi s ILE 92 CO -0.14 0.56 -0.24 -1.61 0.00 0.00 0.00 174.94 173.50 2qzi s GLU 93 N 0.31 3.04 -0.12 2.79 2.02 0.06 -0.95 118.70 125.84 2qzi s GLU 93 Ca -0.17 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 53.96 2qzi s GLU 93 Cb -0.17 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 31.77 2qzi s GLU 93 CO 0.08 0.17 -0.16 0.42 0.02 0.00 0.00 175.26 175.79 2qzi s ILE 94 N 0.37 1.58 -0.18 -1.63 1.01 -0.68 -0.39 121.20 121.28 2qzi s ILE 94 Ca -0.18 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 2qzi s ILE 94 Cb -0.18 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2qzi s ILE 94 CO 0.08 0.46 0.09 -0.44 0.00 0.00 0.00 174.94 175.13 2qzi s SER 95 N 1.10 5.87 -0.51 3.58 0.01 0.35 -1.32 113.70 122.79 2qzi s SER 95 Ca -0.03 0.17 -0.03 0.00 1.31 0.00 0.00 55.95 57.37 2qzi s SER 95 Cb -0.14 -1.99 0.13 0.00 0.21 0.00 0.00 66.02 64.23 2qzi s SER 95 CO -0.04 0.21 0.31 -0.36 0.41 0.00 0.00 173.24 173.78 2qzi s PHE 96 N 0.14 3.50 0.41 2.43 0.08 0.18 -2.22 117.98 122.50 2qzi s PHE 96 Ca 0.06 -2.51 -0.26 0.00 0.12 0.00 0.00 56.93 54.35 2qzi s PHE 96 Cb -0.12 -3.24 -0.08 0.00 -0.57 0.00 0.00 43.02 39.01 2qzi s PHE 96 CO -0.00 -0.92 1.26 -2.14 -0.10 0.00 0.00 175.22 173.32 2qzi s PRO 97 N 0.64 3.96 0.27 0.24 0.02 -1.26 -0.72 135.00 138.15 2qzi s PRO 97 Ca 0.12 2.05 0.05 0.00 0.02 0.00 0.00 61.00 63.24 2qzi s PRO 97 Cb -0.22 -2.71 -0.06 0.00 0.02 0.00 0.00 34.50 31.53 2qzi s PRO 97 CO -0.04 -0.46 -0.01 0.95 -0.33 0.00 0.00 177.00 177.11 2qzi s THR 98 N -1.31 1.29 -0.35 0.99 -4.23 0.05 -0.39 115.64 111.69 2qzi s THR 98 Ca 0.57 -2.06 0.23 0.00 -1.18 0.00 0.00 61.69 59.26 2qzi s THR 98 Cb -0.36 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 2qzi s THR 98 CO 0.45 -0.24 1.08 0.35 -0.54 0.00 0.00 174.62 175.73 2qzi n THR 99 N -0.54 0.51 -0.46 3.99 -2.24 -0.30 -4.59 114.28 110.65 2qzi n THR 99 Ca -0.05 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2qzi n THR 99 Cb 0.64 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2qzi n THR 99 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05