#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7k s LEU 2 N 0.00 2.18 0.00 2.45 1.43 -0.21 -1.49 118.68 123.04 1u7k s LEU 2 Ca 0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1u7k s LEU 2 Cb 0.00 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.35 1u7k s LEU 2 CO 0.00 0.12 0.00 -2.11 0.23 0.00 0.00 176.35 174.59 1u7k n ARG 3 N 1.80 0.00 -4.09 1.70 1.85 -0.74 -4.25 116.66 112.93 1u7k n ARG 3 Ca -0.18 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.54 1u7k n ARG 3 Cb 0.54 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.90 1u7k n ARG 3 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1u7k s GLY 5 N 0.00 1.34 0.32 2.89 0.00 0.89 -0.04 107.32 112.73 1u7k s GLY 5 Ca 0.00 -1.44 0.10 0.00 0.00 0.00 0.00 44.72 43.38 1u7k s GLY 5 CO 0.00 -0.99 1.65 -1.33 0.00 0.00 0.00 173.10 172.44 1u7k h GLY 6 N 2.19 1.81 -3.60 0.20 0.00 -2.02 -0.59 103.07 101.06 1u7k h GLY 6 Ca -0.28 -0.16 -0.23 0.00 0.00 0.00 0.00 47.33 46.66 1u7k h GLY 6 CO 0.39 -0.45 0.29 1.16 0.00 0.00 0.00 176.54 177.93 1u7k n ASN 7 N -5.12 4.61 -0.10 0.19 0.23 -1.26 -4.88 115.26 108.93 1u7k n ASN 7 Ca 0.28 -3.16 -0.01 0.00 -0.53 0.00 0.00 54.58 51.16 1u7k n ASN 7 Cb 0.88 -0.74 -0.01 0.00 -2.08 0.00 0.00 39.78 37.83 1u7k n ASN 7 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u7k n GLY 8 N -0.18 0.41 3.67 4.83 0.00 -0.23 -4.98 105.19 108.71 1u7k n GLY 8 Ca 0.40 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 1u7k n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u7k s GLN 9 N -1.10 4.19 0.32 1.61 0.74 -1.26 -4.77 119.66 119.39 1u7k s GLN 9 Ca 0.00 0.34 -0.29 0.00 0.05 0.00 0.00 55.36 55.46 1u7k s GLN 9 Cb 0.00 -3.55 -0.11 0.00 1.10 0.00 0.00 33.01 30.45 1u7k s GLN 9 CO 0.00 -0.10 1.42 -0.51 -0.55 0.00 0.00 175.29 175.55 1u7k s LEU 10 N 1.49 4.38 -0.05 3.68 1.43 -1.26 -0.08 118.68 128.27 1u7k s LEU 10 Ca 0.22 2.81 0.04 0.00 -1.03 0.00 0.00 54.13 56.18 1u7k s LEU 10 Cb -0.15 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 1u7k s LEU 10 CO 0.09 -0.71 -0.17 -1.58 0.23 0.00 0.00 176.35 174.21 1u7k s GLN 11 N -1.41 2.48 -0.09 1.70 0.74 0.94 -4.84 119.66 119.19 1u7k s GLN 11 Ca 0.54 -0.76 -0.04 0.00 0.05 0.00 0.00 55.36 55.15 1u7k s GLN 11 Cb -0.43 -2.31 -0.04 0.00 1.10 0.00 0.00 33.01 31.33 1u7k s GLN 11 CO 0.53 0.57 0.07 -0.47 -0.55 0.00 0.00 175.29 175.44 1u7k s TYR 12 N -0.60 3.36 -0.05 1.67 5.04 -1.26 -1.79 117.35 123.73 1u7k s TYR 12 Ca 0.09 0.34 -0.06 0.00 -2.44 0.00 0.00 57.07 54.99 1u7k s TYR 12 Cb -0.11 -1.84 0.01 0.00 0.35 0.00 0.00 41.96 40.37 1u7k s TYR 12 CO 0.01 0.59 0.16 1.67 -1.34 0.00 0.00 175.55 176.64 1u7k s TRP 13 N -0.99 -0.14 0.55 4.97 -2.14 -0.55 -4.99 118.94 115.65 1u7k s TRP 13 Ca 0.15 0.34 -0.18 0.00 2.66 0.00 0.00 56.10 59.07 1u7k s TRP 13 Cb -0.12 0.04 -0.05 0.00 -3.10 0.00 0.00 33.47 30.24 1u7k s TRP 13 CO 0.05 -0.13 1.07 -1.25 -2.66 0.00 0.00 176.95 174.03 1u7k s PRO 14 N -0.21 3.44 0.39 3.25 0.04 -1.26 0.10 135.00 140.76 1u7k s PRO 14 Ca -0.03 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 1u7k s PRO 14 Cb -0.02 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 1u7k s PRO 14 CO 0.01 -0.73 1.25 1.19 0.04 0.00 0.00 177.00 178.76 1u7k n PHE 15 N -1.59 2.08 -2.36 0.56 0.99 -1.26 -4.72 117.46 111.17 1u7k n PHE 15 Ca 0.10 0.53 -0.41 0.00 -0.00 0.00 0.00 57.45 57.66 1u7k n PHE 15 Cb 0.52 -2.37 -0.04 0.00 -1.00 0.00 0.00 39.48 36.59 1u7k n PHE 15 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1u7k s SER 16 N -0.48 7.09 0.46 4.37 0.15 -1.26 -4.92 113.70 119.12 1u7k s SER 16 Ca 0.59 2.34 0.21 0.00 0.70 0.00 0.00 55.95 59.79 1u7k s SER 16 Cb -0.53 -2.62 1.14 0.00 -1.71 0.00 0.00 66.02 62.30 1u7k s SER 16 CO 0.59 -0.31 1.98 0.77 1.20 0.00 0.00 173.24 177.47 1u7k h SER 17 N 4.32 0.00 -0.82 5.45 4.64 -2.00 -2.58 113.55 122.56 1u7k h SER 17 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 1u7k h SER 17 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 1u7k h SER 17 CO 0.70 0.20 0.39 0.28 -0.87 0.00 0.00 176.83 177.53 1u7k h SER 18 N 0.00 1.07 -0.05 4.97 0.02 -1.99 0.74 113.55 118.32 1u7k h SER 18 Ca -0.00 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1u7k h SER 18 Cb 0.43 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1u7k h SER 18 CO 0.03 0.91 0.02 0.44 -1.14 0.00 0.00 176.83 177.08 1u7k h ASP 19 N 1.16 0.07 -0.20 3.07 3.32 -1.86 -0.34 116.42 121.63 1u7k h ASP 19 Ca 0.28 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1u7k h ASP 19 Cb 0.12 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1u7k h ASP 19 CO -0.04 0.24 0.04 -0.07 -1.72 0.00 0.00 179.24 177.69 1u7k h LEU 20 N -0.11 0.00 -0.64 1.55 3.38 -1.25 -0.73 115.31 117.51 1u7k h LEU 20 Ca 0.02 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1u7k h LEU 20 Cb 0.19 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1u7k h LEU 20 CO -0.00 0.03 -0.61 1.88 0.09 0.00 0.00 178.44 179.83 1u7k h TYR 21 N 0.11 0.32 -0.65 1.13 0.99 -0.88 -1.93 116.97 116.06 1u7k h TYR 21 Ca 0.09 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 1u7k h TYR 21 Cb 0.09 -0.06 -0.03 0.00 1.00 0.00 0.00 36.73 37.73 1u7k h TYR 21 CO -0.15 0.79 0.32 -0.91 -0.00 0.00 0.00 178.16 178.22 1u7k h ASN 22 N 0.18 0.84 -0.70 3.88 2.35 -0.75 0.31 115.58 121.70 1u7k h ASN 22 Ca -0.01 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1u7k h ASN 22 Cb 1.12 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.24 1u7k h ASN 22 CO 0.10 0.73 0.41 -0.50 -1.65 0.00 0.00 177.43 176.52 1u7k h TRP 23 N 0.90 0.93 0.14 1.19 6.55 -0.93 -1.18 115.95 123.54 1u7k h TRP 23 Ca 0.22 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 60.05 1u7k h TRP 23 Cb 0.10 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 28.10 1u7k h TRP 23 CO 0.00 0.63 -0.07 -0.22 -1.05 0.00 0.00 178.44 177.74 1u7k h LYS 24 N 0.95 -0.18 0.00 0.49 3.64 -0.92 -3.15 116.57 117.40 1u7k h LYS 24 Ca 0.25 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1u7k h LYS 24 Cb -0.01 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1u7k h LYS 24 CO -0.05 0.00 -0.09 -0.91 -2.27 0.00 0.00 179.45 176.13 1u7k h ASN 25 N -0.34 0.00 -0.73 4.20 2.35 -0.18 -3.08 115.58 117.80 1u7k h ASN 25 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1u7k h ASN 25 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1u7k h ASN 25 CO 0.03 0.09 0.00 0.59 -1.65 0.00 0.00 177.43 176.50 1u7k n ASN 26 N -3.41 3.92 -4.13 5.81 3.02 -0.46 -4.94 115.26 115.07 1u7k n ASN 26 Ca -0.01 -2.00 -0.11 0.00 -0.03 0.00 0.00 54.58 52.43 1u7k n ASN 26 Cb 0.26 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 38.84 1u7k n ASN 26 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1u7k s ASN 27 N -1.01 1.01 0.93 6.41 0.01 -1.16 -5.06 114.94 116.06 1u7k s ASN 27 Ca 0.49 -0.89 -0.12 0.00 -0.71 0.00 0.00 52.86 51.63 1u7k s ASN 27 Cb 0.26 0.09 0.15 0.00 0.41 0.00 0.00 41.25 42.15 1u7k s ASN 27 CO 0.33 -0.41 1.10 -2.84 -1.51 0.00 0.00 177.10 173.77 1u7k s PRO 28 N -3.27 1.01 0.95 -0.60 0.02 -1.26 -4.93 135.00 126.92 1u7k s PRO 28 Ca 0.06 0.64 -0.11 0.00 0.02 0.00 0.00 61.00 61.61 1u7k s PRO 28 Cb 0.02 -1.79 0.16 0.00 0.02 0.00 0.00 34.50 32.90 1u7k s PRO 28 CO -0.04 -2.36 1.10 -1.54 -0.33 0.00 0.00 177.00 173.83 1u7k s SER 29 N -3.54 2.84 0.20 2.53 1.04 -1.26 -4.73 113.70 110.79 1u7k s SER 29 Ca 0.64 1.82 -0.10 0.00 0.48 0.00 0.00 55.95 58.79 1u7k s SER 29 Cb -0.18 -2.41 0.14 0.00 0.10 0.00 0.00 66.02 63.68 1u7k s SER 29 CO 0.57 -3.09 1.85 0.15 0.98 0.00 0.00 173.24 173.70 1u7k h PHE 30 N -1.86 0.96 -0.46 5.02 3.57 -1.82 -1.91 116.94 120.44 1u7k h PHE 30 Ca -0.49 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.95 1u7k h PHE 30 Cb 1.28 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1u7k h PHE 30 CO 0.44 0.64 0.02 0.77 -2.23 0.00 0.00 178.31 177.96 1u7k h SER 31 N 1.00 0.71 0.01 0.41 0.02 -1.96 -1.28 113.55 112.46 1u7k h SER 31 Ca 0.26 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1u7k h SER 31 Cb -0.04 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1u7k h SER 31 CO -0.05 0.77 -0.01 -0.33 -1.14 0.00 0.00 176.83 176.07 1u7k h GLU 32 N 0.71 -0.01 -1.71 3.45 5.08 -1.80 -3.42 114.58 116.88 1u7k h GLU 32 Ca 0.14 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.24 1u7k h GLU 32 Cb 0.40 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.37 1u7k h GLU 32 CO 0.01 0.29 -0.60 0.34 -1.00 0.00 0.00 179.01 178.05 1u7k s ASP 33 N -5.49 0.45 0.38 1.42 -1.08 -0.76 -5.01 116.67 106.58 1u7k s ASP 33 Ca -0.15 -1.10 0.05 0.00 -0.52 0.00 0.00 52.55 50.83 1u7k s ASP 33 Cb 0.03 0.97 0.73 0.00 -1.46 0.00 0.00 42.92 43.20 1u7k s ASP 33 CO 0.67 -0.27 2.01 -0.65 0.52 0.00 0.00 175.17 177.45 1u7k h PRO 34 N 7.36 0.65 0.00 4.34 0.11 -1.44 -2.76 132.00 140.25 1u7k h PRO 34 Ca 0.01 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1u7k h PRO 34 Cb 1.10 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1u7k h PRO 34 CO 0.20 0.47 -0.08 0.78 -0.21 0.00 0.00 178.00 179.15 1u7k h GLY 35 N 0.71 0.00 0.33 -0.55 0.00 -1.95 -0.34 103.07 101.27 1u7k h GLY 35 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1u7k h GLY 35 CO -0.03 0.00 -0.16 0.50 0.00 0.00 0.00 176.54 176.85 1u7k h LYS 36 N 0.00 -0.42 0.00 4.80 1.79 -1.87 -0.98 116.57 119.89 1u7k h LYS 36 Ca -0.00 0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.45 1u7k h LYS 36 Cb 0.17 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1u7k h LYS 36 CO 0.01 -0.28 -0.23 -0.07 -1.08 0.00 0.00 179.45 177.80 1u7k h LEU 37 N -0.65 0.00 -0.22 2.94 3.38 -1.68 -2.03 115.31 117.06 1u7k h LEU 37 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1u7k h LEU 37 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1u7k h LEU 37 CO 0.07 0.23 0.10 0.74 0.09 0.00 0.00 178.44 179.68 1u7k h THR 38 N 0.00 1.14 -0.44 0.22 2.02 -1.07 0.89 112.91 115.66 1u7k h THR 38 Ca -0.00 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 1u7k h THR 38 Cb 0.44 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1u7k h THR 38 CO 0.03 0.13 -0.09 0.00 0.37 0.00 0.00 175.52 175.96 1u7k h ALA 39 N 0.97 1.01 -0.10 6.16 0.00 -0.79 0.29 119.26 126.80 1u7k h ALA 39 Ca 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1u7k h ALA 39 Cb 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1u7k h ALA 39 CO -0.01 0.60 0.02 1.25 0.00 0.00 0.00 179.25 181.11 1u7k h LEU 40 N 0.71 0.15 -0.64 0.00 6.46 -1.15 -1.92 115.31 118.93 1u7k h LEU 40 Ca 0.12 -0.25 -0.10 0.00 -0.12 0.00 0.00 57.88 57.54 1u7k h LEU 40 Cb 0.57 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1u7k h LEU 40 CO 0.04 0.36 -0.02 0.40 -0.62 0.00 0.00 178.44 178.60 1u7k h ILE 41 N -0.06 1.26 -0.61 4.05 2.04 -0.65 -1.39 117.51 122.14 1u7k h ILE 41 Ca 0.03 -1.17 0.09 0.00 1.00 0.00 0.00 64.86 64.82 1u7k h ILE 41 Cb 0.27 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 1u7k h ILE 41 CO 0.00 0.42 0.23 -0.08 0.00 0.00 0.00 178.15 178.72 1u7k h GLU 42 N 0.95 0.40 -0.15 2.37 4.81 -0.86 0.15 114.58 122.25 1u7k h GLU 42 Ca 0.17 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1u7k h GLU 42 Cb 0.57 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1u7k h GLU 42 CO 0.03 0.27 0.02 1.03 -0.73 0.00 0.00 179.01 179.63 1u7k h SER 43 N 0.41 0.24 -0.78 1.04 0.87 -0.92 -2.86 113.55 111.55 1u7k h SER 43 Ca 0.31 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1u7k h SER 43 Cb 0.38 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 1u7k h SER 43 CO -0.31 0.45 0.52 0.58 -0.53 0.00 0.00 176.83 177.54 1u7k h VAL 44 N 0.03 1.20 -0.60 2.23 2.07 -0.75 -0.02 116.25 120.41 1u7k h VAL 44 Ca 0.05 -0.36 0.14 0.00 0.82 0.00 0.00 66.70 67.35 1u7k h VAL 44 Cb 0.31 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1u7k h VAL 44 CO 0.00 0.19 0.41 -0.07 0.02 0.00 0.00 177.57 178.13 1u7k h LEU 45 N 1.06 0.16 0.00 2.57 3.38 -0.48 0.52 115.31 122.52 1u7k h LEU 45 Ca 0.29 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 1u7k h LEU 45 Cb -0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1u7k h LEU 45 CO -0.06 0.09 -0.80 0.74 0.09 0.00 0.00 178.44 178.50 1u7k h THR 46 N 0.18 0.47 -0.13 0.22 2.02 -1.11 -3.21 112.91 111.35 1u7k h THR 46 Ca 0.29 -1.57 -0.05 0.00 0.77 0.00 0.00 66.41 65.84 1u7k h THR 46 Cb 0.89 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1u7k h THR 46 CO -0.05 0.16 -0.16 0.71 0.37 0.00 0.00 175.52 176.55 1u7k h THR 47 N -1.00 1.18 -0.01 3.16 1.35 -0.94 -3.00 112.91 113.66 1u7k h THR 47 Ca -0.16 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1u7k h THR 47 Cb 0.85 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1u7k h THR 47 CO -0.09 0.25 -0.42 1.41 -0.25 0.00 0.00 175.52 176.42 1u7k n HIS 48 N -4.26 0.00 -4.11 4.73 8.25 0.16 -4.95 115.22 115.04 1u7k n HIS 48 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 1u7k n HIS 48 Cb 0.28 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 1u7k n HIS 48 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1u7k n GLN 49 N -0.02 -0.49 -2.06 -0.41 6.02 -1.14 -1.05 117.38 118.23 1u7k n GLN 49 Ca 0.08 0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.73 1u7k n GLN 49 Cb 0.43 -2.56 0.01 0.00 1.02 0.00 0.00 30.24 29.14 1u7k n GLN 49 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1u7k s PRO 50 N -7.23 3.48 1.05 -1.09 0.04 -1.26 -2.64 135.00 127.35 1u7k s PRO 50 Ca 0.30 1.95 -0.17 0.00 0.04 0.00 0.00 61.00 63.12 1u7k s PRO 50 Cb -0.17 -2.32 0.24 0.00 0.04 0.00 0.00 34.50 32.29 1u7k s PRO 50 CO 0.91 -0.83 1.27 0.95 0.04 0.00 0.00 177.00 179.33 1u7k s THR 51 N -1.46 1.87 0.20 1.26 -4.23 -1.26 -4.78 115.64 107.24 1u7k s THR 51 Ca 0.67 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.08 1u7k s THR 51 Cb -0.33 -2.84 0.15 0.00 1.34 0.00 0.00 72.50 70.81 1u7k s THR 51 CO 0.39 0.00 1.84 -0.25 -0.54 0.00 0.00 174.62 176.07 1u7k h TRP 52 N -1.98 0.99 -0.43 3.99 7.01 -1.97 -0.02 115.95 123.54 1u7k h TRP 52 Ca -0.44 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.51 1u7k h TRP 52 Cb 1.25 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.96 1u7k h TRP 52 CO -1.60 0.68 0.09 -0.44 -2.79 0.00 0.00 178.44 174.37 1u7k h ASP 53 N 1.02 0.66 -0.99 2.65 3.32 -1.99 -1.93 116.42 119.15 1u7k h ASP 53 Ca 0.27 -0.24 0.08 0.00 0.02 0.00 0.00 57.03 57.16 1u7k h ASP 53 Cb -0.02 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.28 1u7k h ASP 53 CO -0.05 0.74 0.64 0.44 -1.72 0.00 0.00 179.24 179.28 1u7k h ASP 54 N 0.56 0.99 -0.65 6.45 3.32 -1.79 -1.22 116.42 124.09 1u7k h ASP 54 Ca 0.13 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1u7k h ASP 54 Cb 0.34 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1u7k h ASP 54 CO 0.00 0.60 0.21 0.00 -1.72 0.00 0.00 179.24 178.34 1u7k h GLN 56 N 0.99 0.95 -0.29 0.00 1.08 -0.60 0.16 115.11 117.40 1u7k h GLN 56 Ca 0.22 -0.27 -0.16 0.00 -1.45 0.00 0.00 58.65 56.99 1u7k h GLN 56 Cb 0.28 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1u7k h GLN 56 CO -0.01 0.92 -0.44 0.37 -0.95 0.00 0.00 178.83 178.72 1u7k h GLN 57 N 0.88 0.75 -0.17 1.46 4.15 -0.81 0.16 115.11 121.52 1u7k h GLN 57 Ca 0.17 -0.41 -0.04 0.00 0.77 0.00 0.00 58.65 59.14 1u7k h GLN 57 Cb 0.48 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1u7k h GLN 57 CO 0.02 1.04 -0.03 1.25 -1.93 0.00 0.00 178.83 179.18 1u7k h LEU 58 N 0.60 0.33 -0.39 -2.39 5.85 -0.69 -1.85 115.31 116.76 1u7k h LEU 58 Ca 0.04 -0.35 -0.15 0.00 0.84 0.00 0.00 57.88 58.26 1u7k h LEU 58 Cb 1.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1u7k h LEU 58 CO 0.10 0.60 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.39 1u7k h LEU 59 N 0.05 0.98 -1.68 2.25 3.38 -0.90 -1.99 115.31 117.39 1u7k h LEU 59 Ca 0.05 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1u7k h LEU 59 Cb 0.45 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1u7k h LEU 59 CO 0.01 1.22 -0.19 1.23 0.09 0.00 0.00 178.44 180.81 1u7k h GLY 60 N 0.74 0.00 0.76 0.83 0.00 -0.62 0.10 103.07 104.89 1u7k h GLY 60 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.06 1u7k h GLY 60 CO 0.09 0.00 -1.74 -0.84 0.00 0.00 0.00 176.54 174.05 1u7k h THR 61 N 0.00 0.88 0.00 4.70 2.02 -1.22 -3.39 112.91 115.90 1u7k h THR 61 Ca -0.00 -2.44 -0.08 0.00 0.77 0.00 0.00 66.41 64.66 1u7k h THR 61 Cb 0.40 2.69 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1u7k h THR 61 CO 0.02 0.83 -1.10 -0.07 0.37 0.00 0.00 175.52 175.58 1u7k h LEU 62 N 0.01 0.00 -9.34 2.58 3.38 -1.22 -3.47 115.31 107.25 1u7k h LEU 62 Ca -0.36 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.00 1u7k h LEU 62 Cb 2.01 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.63 1u7k h LEU 62 CO 0.13 0.27 -0.72 -0.76 0.09 0.00 0.00 178.44 177.46 1u7k s LEU 63 N -5.64 2.97 0.88 1.67 1.43 0.34 -4.64 118.68 115.69 1u7k s LEU 63 Ca -0.01 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.35 1u7k s LEU 63 Cb 0.09 -1.62 0.12 0.00 0.03 0.00 0.00 46.19 44.80 1u7k s LEU 63 CO 0.79 0.08 1.11 0.42 0.23 0.00 0.00 176.35 178.98 1u7k s THR 64 N -1.84 2.56 0.24 5.49 -4.23 -1.26 -4.65 115.64 111.94 1u7k s THR 64 Ca 0.26 0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 60.90 1u7k s THR 64 Cb -0.08 -2.84 0.20 0.00 1.34 0.00 0.00 72.50 71.12 1u7k s THR 64 CO 0.16 -0.24 1.80 1.23 -0.54 0.00 0.00 174.62 177.03 1u7k h GLY 65 N -1.40 1.19 1.31 3.99 0.00 -1.94 -0.65 103.07 105.56 1u7k h GLY 65 Ca -0.49 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 46.40 1u7k h GLY 65 CO 0.59 0.10 -0.44 0.83 0.00 0.00 0.00 176.54 177.62 1u7k h GLU 66 N 0.71 0.75 -0.40 4.80 5.08 -2.00 -1.36 114.58 122.16 1u7k h GLU 66 Ca 0.38 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1u7k h GLU 66 Cb 0.37 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1u7k h GLU 66 CO -0.26 1.03 0.01 0.93 -1.00 0.00 0.00 179.01 179.73 1u7k h GLU 67 N 0.60 0.70 -0.57 2.33 5.08 -1.84 -2.36 114.58 118.52 1u7k h GLU 67 Ca 0.04 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1u7k h GLU 67 Cb 0.99 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1u7k h GLU 67 CO 0.09 0.78 0.28 -0.22 -1.00 0.00 0.00 179.01 178.95 1u7k h LYS 68 N 0.53 0.82 -0.75 2.33 3.64 -1.02 -1.67 116.57 120.45 1u7k h LYS 68 Ca 0.11 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1u7k h LYS 68 Cb 0.46 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1u7k h LYS 68 CO 0.02 0.66 0.40 1.96 -2.27 0.00 0.00 179.45 180.22 1u7k h GLN 69 N 0.77 1.04 -0.62 1.90 1.08 -1.15 -0.38 115.11 117.75 1u7k h GLN 69 Ca 0.20 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1u7k h GLN 69 Cb 0.11 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 1u7k h GLN 69 CO -0.03 0.77 0.25 -0.09 -0.95 0.00 0.00 178.83 178.78 1u7k h ARG 70 N 1.04 0.92 -0.34 1.46 2.43 -1.11 -0.54 114.38 118.25 1u7k h ARG 70 Ca 0.26 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1u7k h ARG 70 Cb 0.04 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1u7k h ARG 70 CO -0.04 0.78 0.14 0.28 -1.51 0.00 0.00 179.97 179.62 1u7k h VAL 71 N 0.86 1.18 -0.72 0.20 2.07 -0.67 -0.67 116.25 118.50 1u7k h VAL 71 Ca 0.21 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1u7k h VAL 71 Cb 0.20 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1u7k h VAL 71 CO -0.02 0.19 0.19 -0.07 0.02 0.00 0.00 177.57 177.88 1u7k h LEU 72 N 0.41 1.09 -0.21 2.57 3.38 -0.94 0.18 115.31 121.79 1u7k h LEU 72 Ca 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1u7k h LEU 72 Cb 0.17 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1u7k h LEU 72 CO -0.01 1.03 0.13 0.25 0.09 0.00 0.00 178.44 179.94 1u7k h LEU 73 N 1.09 0.24 -1.11 1.67 5.85 -0.90 -1.52 115.31 120.64 1u7k h LEU 73 Ca 0.23 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1u7k h LEU 73 Cb 0.36 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1u7k h LEU 73 CO 0.00 0.19 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.77 1u7k h GLU 74 N 0.27 0.41 -0.48 1.25 4.39 -0.79 -1.69 114.58 117.95 1u7k h GLU 74 Ca 0.08 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1u7k h GLU 74 Cb -0.02 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1u7k h GLU 74 CO -0.02 0.59 0.20 0.00 -1.16 0.00 0.00 179.01 178.62 1u7k h ALA 75 N 1.44 0.62 -0.11 3.43 0.00 -0.73 -2.23 119.26 121.68 1u7k h ALA 75 Ca 0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1u7k h ALA 75 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1u7k h ALA 75 CO 0.04 0.22 -0.28 0.00 0.00 0.00 0.00 179.25 179.22 1u7k h ARG 76 N 0.63 0.20 0.00 0.00 3.08 -0.95 -1.74 114.38 115.60 1u7k h ARG 76 Ca 0.16 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1u7k h ARG 76 Cb 0.18 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1u7k h ARG 76 CO -0.01 0.47 0.00 -0.22 -1.07 0.00 0.00 179.97 179.14 1u7k h LYS 77 N 0.18 0.00 -0.09 0.04 3.64 -0.88 -2.83 116.57 116.63 1u7k h LYS 77 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1u7k h LYS 77 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1u7k h LYS 77 CO 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.22 1u7k n ALA 78 N -1.95 2.53 -1.77 5.00 0.00 -0.66 -4.83 120.51 118.84 1u7k n ALA 78 Ca 0.02 -0.54 -0.39 0.00 0.00 0.00 0.00 53.44 52.53 1u7k n ALA 78 Cb 0.30 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 1u7k n ALA 78 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u7k s VAL 79 N -1.90 2.97 0.07 0.00 1.01 -1.07 -4.96 120.40 116.51 1u7k s VAL 79 Ca 0.35 0.83 0.09 0.00 0.00 0.00 0.00 61.98 63.25 1u7k s VAL 79 Cb 0.20 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1u7k s VAL 79 CO 0.31 0.09 -0.22 -0.13 0.00 0.00 0.00 175.10 175.15 1u7k s ARG 80 N -2.27 1.82 0.80 2.72 0.52 -1.26 -2.03 118.95 119.25 1u7k s ARG 80 Ca 0.57 -1.12 -0.13 0.00 -0.52 0.00 0.00 55.73 54.52 1u7k s ARG 80 Cb -0.33 -2.07 0.19 0.00 0.52 0.00 0.00 34.95 33.26 1u7k s ARG 80 CO 0.42 0.50 0.94 0.41 0.02 0.00 0.00 175.30 177.60 1u7k n GLY 81 N 1.33 -1.84 0.31 -3.53 0.00 0.27 -4.81 105.19 96.94 1u7k n GLY 81 Ca -0.17 -1.63 0.20 0.00 0.00 0.00 0.00 46.02 44.42 1u7k n GLY 81 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1u7k h ASN 82 N -1.64 0.00 -0.06 1.61 7.08 -1.99 -1.48 115.58 119.10 1u7k h ASN 82 Ca -0.32 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.90 1u7k h ASN 82 Cb 0.91 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.15 1u7k h ASN 82 CO 0.22 0.02 0.00 -0.90 -2.08 0.00 0.00 177.43 174.69 1u7k n ASP 83 N -3.21 0.64 -0.00 6.14 5.75 -1.26 -4.88 116.55 119.74 1u7k n ASP 83 Ca -0.02 -1.50 -0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1u7k n ASP 83 Cb 0.15 -0.04 -0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1u7k n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u7k n GLY 84 N 0.94 0.45 3.72 6.12 0.00 -0.56 -5.02 105.19 110.83 1u7k n GLY 84 Ca 0.15 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1u7k n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u7k s ARG 85 N -0.25 2.61 0.29 1.61 0.52 -1.26 -4.84 118.95 117.63 1u7k s ARG 85 Ca 0.00 -1.06 -0.28 0.00 -0.52 0.00 0.00 55.73 53.86 1u7k s ARG 85 Cb 0.00 -2.45 -0.14 0.00 0.52 0.00 0.00 34.95 32.88 1u7k s ARG 85 CO 0.00 0.45 1.05 -2.30 0.02 0.00 0.00 175.30 174.52 1u7k n PRO 86 N -0.41 1.44 -4.29 3.54 -0.02 -1.26 -0.56 135.00 133.44 1u7k n PRO 86 Ca -0.09 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.71 1u7k n PRO 86 Cb 0.56 -1.91 -0.13 0.00 -0.02 0.00 0.00 33.50 32.00 1u7k n PRO 86 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1u7k s THR 87 N -1.02 0.96 0.00 3.45 -1.32 -0.86 -4.59 115.64 112.26 1u7k s THR 87 Ca 0.59 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 1u7k s THR 87 Cb -0.69 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 1u7k s THR 87 CO 0.60 -0.04 0.80 0.00 -2.21 0.00 0.00 174.62 173.77 1u7k n GLN 88 N 1.95 1.56 -1.91 7.08 3.00 -1.26 -4.69 117.38 123.10 1u7k n GLN 88 Ca -0.18 -1.11 -0.42 0.00 -0.01 0.00 0.00 57.00 55.27 1u7k n GLN 88 Cb 0.55 -0.97 -0.03 0.00 0.00 0.00 0.00 30.24 29.79 1u7k n GLN 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1u7k s LEU 89 N -0.62 4.19 0.29 1.08 1.43 -1.26 -4.87 118.68 118.91 1u7k s LEU 89 Ca 0.00 2.19 0.04 0.00 -1.03 0.00 0.00 54.13 55.33 1u7k s LEU 89 Cb 0.00 -3.53 0.70 0.00 0.03 0.00 0.00 46.19 43.39 1u7k s LEU 89 CO 0.00 -1.11 1.76 -0.65 0.23 0.00 0.00 176.35 176.58 1u7k h PRO 90 N 10.50 0.68 -0.78 1.29 0.11 -1.98 0.98 132.00 142.80 1u7k h PRO 90 Ca -0.41 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1u7k h PRO 90 Cb 1.19 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1u7k h PRO 90 CO 0.96 0.45 0.37 -2.95 -0.21 0.00 0.00 178.00 176.62 1u7k h ASN 91 N 0.70 1.02 -0.20 -2.05 7.08 -1.99 0.51 115.58 120.65 1u7k h ASN 91 Ca 0.56 -0.13 -0.12 0.00 -3.08 0.00 0.00 56.30 53.52 1u7k h ASN 91 Cb 0.88 -0.26 -0.00 0.00 -2.08 0.00 0.00 38.32 36.86 1u7k h ASN 91 CO -0.39 0.87 -0.35 -0.33 -2.08 0.00 0.00 177.43 175.15 1u7k h GLU 92 N 1.10 0.59 -0.41 4.14 5.08 -1.39 -1.88 114.58 121.81 1u7k h GLU 92 Ca 0.27 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1u7k h GLU 92 Cb 0.12 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1u7k h GLU 92 CO -0.03 0.97 0.14 0.28 -1.00 0.00 0.00 179.01 179.37 1u7k h VAL 93 N 0.26 1.21 -0.07 3.13 2.07 -0.74 -2.67 116.25 119.45 1u7k h VAL 93 Ca 0.01 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 66.74 1u7k h VAL 93 Cb 0.94 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1u7k h VAL 93 CO 0.08 0.25 -0.41 0.44 0.02 0.00 0.00 177.57 177.94 1u7k h ASP 94 N 0.52 0.15 0.14 0.57 3.32 -0.91 0.56 116.42 120.77 1u7k h ASP 94 Ca 0.13 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1u7k h ASP 94 Cb 0.25 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1u7k h ASP 94 CO -0.01 0.55 -0.43 0.00 -1.72 0.00 0.00 179.24 177.63 1u7k h ALA 95 N 1.46 0.98 0.10 3.45 0.00 -1.19 -2.87 119.26 121.19 1u7k h ALA 95 Ca 0.01 -0.44 -0.33 0.00 0.00 0.00 0.00 54.91 54.15 1u7k h ALA 95 Cb 0.78 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1u7k h ALA 95 CO 0.06 0.63 -1.80 0.00 0.00 0.00 0.00 179.25 178.13 1u7k h ALA 96 N 1.25 0.45 -2.03 0.00 0.00 -1.20 -3.42 119.26 114.30 1u7k h ALA 96 Ca 0.02 -1.32 -0.56 0.00 0.00 0.00 0.00 54.91 53.05 1u7k h ALA 96 Cb 0.88 0.54 -0.39 0.00 0.00 0.00 0.00 17.79 18.82 1u7k h ALA 96 CO 0.07 1.31 -1.06 0.34 0.00 0.00 0.00 179.25 179.91 1u7k n PHE 97 N -3.38 -0.07 -1.89 0.00 7.35 0.16 -4.36 117.46 115.26 1u7k n PHE 97 Ca -0.24 -3.60 -0.41 0.00 -0.76 0.00 0.00 57.45 52.44 1u7k n PHE 97 Cb 1.05 -0.34 -0.01 0.00 0.35 0.00 0.00 39.48 40.52 1u7k n PHE 97 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1u7k s PRO 98 N -1.24 4.18 0.29 -7.13 0.04 -1.08 -4.65 135.00 125.42 1u7k s PRO 98 Ca 0.35 2.46 0.22 0.00 0.04 0.00 0.00 61.00 64.08 1u7k s PRO 98 Cb 0.16 -3.03 0.13 0.00 0.04 0.00 0.00 34.50 31.80 1u7k s PRO 98 CO -0.11 -0.48 1.28 -0.07 0.04 0.00 0.00 177.00 177.66 1u7k h LEU 99 N 3.94 0.00 -9.48 -3.56 3.38 -1.94 -3.46 115.31 104.18 1u7k h LEU 99 Ca -0.49 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.88 1u7k h LEU 99 Cb 1.23 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.86 1u7k h LEU 99 CO 0.71 0.06 -0.67 -1.61 0.09 0.00 0.00 178.44 177.03 1u7k s GLU 100 N -3.25 2.36 -0.08 1.13 2.02 -1.26 -5.06 118.70 114.56 1u7k s GLU 100 Ca 0.03 -1.13 -0.35 0.00 0.02 0.00 0.00 54.97 53.53 1u7k s GLU 100 Cb 0.08 -2.33 -0.13 0.00 0.10 0.00 0.00 34.13 31.84 1u7k s GLU 100 CO 0.74 0.45 1.79 -2.13 0.02 0.00 0.00 175.26 176.13 1u7k n ARG 101 N -0.10 1.93 -2.33 1.61 0.63 -1.26 -4.97 116.66 112.16 1u7k n ARG 101 Ca -0.10 0.70 -0.25 0.00 -0.92 0.00 0.00 57.85 57.29 1u7k n ARG 101 Cb 0.55 -2.50 0.09 0.00 0.45 0.00 0.00 32.46 31.06 1u7k n ARG 101 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1u7k s PRO 102 N 3.36 1.88 -0.25 -0.14 0.04 -1.26 -4.98 135.00 133.65 1u7k s PRO 102 Ca 0.92 -0.59 0.10 0.00 0.04 0.00 0.00 61.00 61.46 1u7k s PRO 102 Cb -0.78 -2.22 0.66 0.00 0.04 0.00 0.00 34.50 32.21 1u7k s PRO 102 CO 0.52 -1.39 1.61 -0.40 0.04 0.00 0.00 177.00 177.39 1u7k n ASP 103 N -2.93 4.66 -4.72 6.66 5.75 -1.26 -4.97 116.55 119.74 1u7k n ASP 103 Ca 0.11 -2.93 -0.42 0.00 -0.01 0.00 0.00 54.79 51.53 1u7k n ASP 103 Cb 0.60 -0.69 -0.03 0.00 -1.03 0.00 0.00 41.12 39.97 1u7k n ASP 103 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1u7k n TRP 104 N 0.16 2.72 -3.81 2.11 8.01 -1.26 -4.98 117.44 120.39 1u7k n TRP 104 Ca 0.30 0.06 -0.37 0.00 -1.31 0.00 0.00 57.50 56.19 1u7k n TRP 104 Cb 1.17 -2.66 -0.13 0.00 -2.01 0.00 0.00 31.31 27.68 1u7k n TRP 104 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1u7k s ASP 105 N 1.13 5.15 0.00 -0.99 -1.08 -1.26 -4.97 116.67 114.66 1u7k s ASP 105 Ca 0.75 -1.26 0.09 0.00 -0.52 0.00 0.00 52.55 51.61 1u7k s ASP 105 Cb -0.52 -1.81 0.48 0.00 -1.46 0.00 0.00 42.92 39.62 1u7k s ASP 105 CO 0.33 -0.32 1.18 0.00 0.52 0.00 0.00 175.17 176.88 1u7k n TYR 106 N 4.72 0.00 1.48 -5.34 0.18 -1.26 -0.97 117.16 115.97 1u7k n TYR 106 Ca -0.12 0.00 0.14 0.00 1.88 0.00 0.00 57.90 59.80 1u7k n TYR 106 Cb 0.44 -0.28 0.60 0.00 -0.38 0.00 0.00 39.34 39.72 1u7k n TYR 106 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1u7k n THR 107 N -1.28 0.00 -4.20 -3.48 -2.24 -1.26 -4.63 114.28 97.20 1u7k n THR 107 Ca 0.05 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.42 1u7k n THR 107 Cb 0.07 0.05 -0.09 0.00 -2.10 0.00 0.00 70.33 68.26 1u7k n THR 107 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1u7k s THR 108 N -2.32 3.54 0.28 4.28 -4.23 -0.14 -5.02 115.64 112.02 1u7k s THR 108 Ca 0.33 -1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 59.60 1u7k s THR 108 Cb 0.20 -2.67 0.26 0.00 1.34 0.00 0.00 72.50 71.64 1u7k s THR 108 CO 0.44 0.11 1.94 -0.61 -0.54 0.00 0.00 174.62 175.96 1u7k h GLN 109 N 3.55 1.19 -0.39 3.99 4.15 -1.88 -0.72 115.11 125.00 1u7k h GLN 109 Ca -0.49 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 58.79 1u7k h GLN 109 Cb 1.17 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1u7k h GLN 109 CO 0.54 0.79 -0.04 0.00 -1.93 0.00 0.00 178.83 178.19 1u7k h ARG 110 N 1.23 0.71 -0.66 1.69 3.08 -1.95 0.18 114.38 118.66 1u7k h ARG 110 Ca 0.35 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1u7k h ARG 110 Cb -0.10 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 1u7k h ARG 110 CO -0.08 0.83 0.43 0.78 -1.07 0.00 0.00 179.97 180.86 1u7k h GLY 111 N 0.52 0.93 1.04 0.04 0.00 -1.60 -0.68 103.07 103.32 1u7k h GLY 111 Ca 0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1u7k h GLY 111 CO 0.03 0.32 0.36 3.21 0.00 0.00 0.00 176.54 180.46 1u7k h ARG 112 N 0.88 1.17 -0.57 4.80 3.08 -0.83 -1.53 114.38 121.39 1u7k h ARG 112 Ca 0.25 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 1u7k h ARG 112 Cb -0.08 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.75 1u7k h ARG 112 CO -0.06 0.93 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.80 1u7k h ASN 113 N 1.15 1.02 -0.98 7.04 2.35 -0.29 -1.60 115.58 124.28 1u7k h ASN 113 Ca 0.27 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1u7k h ASN 113 Cb 0.16 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 1u7k h ASN 113 CO -0.03 1.10 0.61 0.45 -1.65 0.00 0.00 177.43 177.92 1u7k h HIS 114 N 0.93 1.26 -0.32 1.19 3.86 -0.83 -2.37 115.15 118.87 1u7k h HIS 114 Ca 0.16 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.28 1u7k h HIS 114 Cb 0.61 -0.42 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1u7k h HIS 114 CO 0.04 0.82 -0.17 -0.07 0.86 0.00 0.00 177.93 179.41 1u7k h LEU 115 N 1.34 0.71 -0.56 2.43 3.38 -0.79 -0.07 115.31 121.74 1u7k h LEU 115 Ca 0.35 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1u7k h LEU 115 Cb -0.10 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.39 1u7k h LEU 115 CO -0.07 0.96 0.23 0.58 0.09 0.00 0.00 178.44 180.24 1u7k h VAL 116 N 0.45 0.85 -0.45 1.22 2.07 -1.16 -0.81 116.25 118.42 1u7k h VAL 116 Ca 0.07 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1u7k h VAL 116 Cb 0.70 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1u7k h VAL 116 CO 0.05 0.08 0.04 0.25 0.02 0.00 0.00 177.57 178.01 1u7k h LEU 117 N 0.44 0.75 -0.30 2.57 5.85 -1.20 -1.46 115.31 121.96 1u7k h LEU 117 Ca 0.27 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1u7k h LEU 117 Cb 0.27 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1u7k h LEU 117 CO -0.24 0.84 0.08 0.22 -0.34 0.00 0.00 178.44 179.01 1u7k h TYR 118 N 0.63 0.15 -0.67 1.25 3.20 -0.55 -0.37 116.97 120.61 1u7k h TYR 118 Ca 0.13 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1u7k h TYR 118 Cb 0.43 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1u7k h TYR 118 CO 0.03 0.05 0.19 0.00 -1.64 0.00 0.00 178.16 176.80 1u7k h ARG 119 N 0.20 1.03 -0.28 1.82 3.08 -0.98 0.80 114.38 120.06 1u7k h ARG 119 Ca 0.14 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1u7k h ARG 119 Cb 0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1u7k h ARG 119 CO -0.16 0.89 0.18 1.96 -1.07 0.00 0.00 179.97 181.77 1u7k h GLN 120 N 0.99 0.37 -0.59 0.04 4.20 -0.69 -1.75 115.11 117.68 1u7k h GLN 120 Ca 0.22 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 1u7k h GLN 120 Cb 0.30 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1u7k h GLN 120 CO -0.01 0.25 0.13 -0.07 -0.67 0.00 0.00 178.83 178.47 1u7k h LEU 121 N 0.37 0.87 -0.40 1.46 3.38 -0.71 -1.86 115.31 118.44 1u7k h LEU 121 Ca 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1u7k h LEU 121 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1u7k h LEU 121 CO -0.02 0.86 0.22 0.25 0.09 0.00 0.00 178.44 179.83 1u7k h LEU 122 N 0.89 0.50 -0.47 1.67 6.46 -0.62 0.11 115.31 123.85 1u7k h LEU 122 Ca 0.19 -0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1u7k h LEU 122 Cb 0.34 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1u7k h LEU 122 CO 0.00 0.45 0.30 0.25 -0.62 0.00 0.00 178.44 178.82 1u7k h LEU 123 N 0.51 0.50 -0.45 2.25 5.85 -1.01 -2.46 115.31 120.49 1u7k h LEU 123 Ca 0.14 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1u7k h LEU 123 Cb 0.06 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1u7k h LEU 123 CO -0.02 0.36 0.25 0.00 -0.34 0.00 0.00 178.44 178.68 1u7k h ALA 124 N 1.19 0.56 0.00 1.25 0.00 -0.93 0.04 119.26 121.38 1u7k h ALA 124 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1u7k h ALA 124 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1u7k h ALA 124 CO -0.06 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.51 1u7k n GLY 125 N -1.23 0.00 1.56 0.00 0.00 0.35 -0.53 105.19 105.34 1u7k n GLY 125 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1u7k n GLY 125 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u7k n GLN 127 N 0.47 0.00 0.07 1.61 6.02 -0.00 -0.57 117.38 124.97 1u7k n GLN 127 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 1u7k n GLN 127 Cb 0.00 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.35 1u7k n GLN 127 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1u7k h ASN 128 N 0.00 0.35 0.33 1.08 2.35 -1.06 -2.40 115.58 116.22 1u7k h ASN 128 Ca 0.00 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.43 1u7k h ASN 128 Cb 0.00 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1u7k h ASN 128 CO 0.00 0.89 -0.49 0.00 -1.65 0.00 0.00 177.43 176.17 1u7k h ALA 129 N 1.12 1.03 -0.57 -0.83 0.00 -1.07 -2.75 119.26 116.18 1u7k h ALA 129 Ca -0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1u7k h ALA 129 Cb 1.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1u7k h ALA 129 CO 0.10 0.65 0.07 0.78 0.00 0.00 0.00 179.25 180.85 1u7k h GLY 130 N 1.37 0.99 1.00 0.00 0.00 -1.70 -3.50 103.07 101.23 1u7k h GLY 130 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1u7k h GLY 130 CO 0.07 0.59 0.00 0.54 0.00 0.00 0.00 176.54 177.74